PubChemLite - Glycinamide, n-[2-(2,4-dichlorophenyl)ethyl]glycyl-n-[2-(4-fluorophenyl)ethyl]glycyl-n~2~-[2-(2,4-dichlorophenyl)ethyl]- (C30H31Cl4FN4O3)

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1CCN(CC(=O)N(CCC2=C(C=C(C=C2)Cl)Cl)CC(=O)N)C(=O)CNCCC3=C(C=C(C=C3)Cl)Cl)F

InChI

InChI=1S/C30H31Cl4FN4O3/c31-23-5-3-21(26(33)15-23)9-12-37-17-29(41)39(13-10-20-1-7-25(35)8-2-20)19-30(42)38(18-28(36)40)14-11-22-4-6-24(32)16-27(22)34/h1-8,15-16,37H,9-14,17-19H2,(H2,36,40)

InChIKey

BAQOQIRVIAUOFE-UHFFFAOYSA-N

Compound name

N-[2-[(2-amino-2-oxoethyl)-[2-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-2-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	655.12068	248.8
[M+Na]+	677.10262	251.8
[M-H]-	653.10612	254.4
[M+NH4]+	672.14722	251.1
[M+K]+	693.07656	245.9
[M+H-H2O]+	637.11066	239.7
[M+HCOO]-	699.11160	251.0
[M+CH3COO]-	713.12725	275.5
[M+Na-2H]-	675.08807	240.7
[M]+	654.11285	256.2
[M]-	654.11395	256.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

655.12068

248.8

[M+Na]+

677.10262

251.8

[M-H]-

653.10612

254.4

[M+NH4]+

672.14722

251.1

[M+K]+

693.07656

245.9

[M+H-H2O]+

637.11066

239.7

[M+HCOO]-

699.11160

251.0

[M+CH3COO]-

713.12725

275.5

[M+Na-2H]-

675.08807

240.7

[M]+

654.11285

256.2

[M]-

654.11395

256.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Glycinamide, n-[2-(2,4-dichlorophenyl)ethyl]glycyl-n-[2-(4-fluorophenyl)ethyl]glycyl-n~2~-[2-(2,4-dichlorophenyl)ethyl]-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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