PubChemLite - N37-37-15c (C30H32Cl2F2N4O3)

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1CCNCC(=O)N(CCC2=CC=C(C=C2)F)CC(=O)N(CCC3=C(C=C(C=C3)Cl)Cl)CC(=O)N)F

InChI

InChI=1S/C30H32Cl2F2N4O3/c31-24-6-5-23(27(32)17-24)13-16-37(19-28(35)39)30(41)20-38(15-12-22-3-9-26(34)10-4-22)29(40)18-36-14-11-21-1-7-25(33)8-2-21/h1-10,17,36H,11-16,18-20H2,(H2,35,39)

InChIKey

SSWNKXMHTJSEMZ-UHFFFAOYSA-N

Compound name

N-[2-[(2-amino-2-oxoethyl)-[2-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-N-[2-(4-fluorophenyl)ethyl]-2-[2-(4-fluorophenyl)ethylamino]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]+	605.18923	245.4
[M+Na]+	627.17117	247.7
[M-H]-	603.17467	252.3
[M+NH4]+	622.21577	248.6
[M+K]+	643.14511	241.5
[M+H-H2O]+	587.17921	233.2
[M+HCOO]-	649.18015	256.8
[M+CH3COO]-	663.19580	272.3
[M+Na-2H]-	625.15662	238.9
[M]+	604.18140	250.7
[M]-	604.18250	250.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

605.18923

245.4

[M+Na]+

627.17117

247.7

[M-H]-

603.17467

252.3

[M+NH4]+

622.21577

248.6

[M+K]+

643.14511

241.5

[M+H-H2O]+

587.17921

233.2

[M+HCOO]-

649.18015

256.8

[M+CH3COO]-

663.19580

272.3

[M+Na-2H]-

625.15662

238.9

[M]+

604.18140

250.7

[M]-

604.18250

250.7

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

N37-37-15c

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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