PubChemLite - N15-10-15c (C30H32Cl4N4O3)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C30H32Cl4N4O3/c31-24-8-6-22(26(33)16-24)10-13-36-18-29(40)38(14-11-21-4-2-1-3-5-21)20-30(41)37(19-28(35)39)15-12-23-7-9-25(32)17-27(23)34/h1-9,16-17,36H,10-15,18-20H2,(H2,35,39)

InChIKey

GAEIWCOQSMHLPE-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-phenylethyl)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]+	637.13014	247.0
[M+Na]+	659.11208	249.1
[M-H]-	635.11558	253.5
[M+NH4]+	654.15668	249.7
[M+K]+	675.08602	243.5
[M+H-H2O]+	619.12012	238.5
[M+HCOO]-	681.12106	250.0
[M+CH3COO]-	695.13671	272.1
[M+Na-2H]-	657.09753	240.0
[M]+	636.12231	254.7
[M]-	636.12341	254.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

637.13014

247.0

[M+Na]+

659.11208

249.1

[M-H]-

635.11558

253.5

[M+NH4]+

654.15668

249.7

[M+K]+

675.08602

243.5

[M+H-H2O]+

619.12012

238.5

[M+HCOO]-

681.12106

250.0

[M+CH3COO]-

695.13671

272.1

[M+Na-2H]-

657.09753

240.0

[M]+

636.12231

254.7

[M]-

636.12341

254.7

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

N15-10-15c

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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