PubChemLite - 6358-85-6 (C32H26Cl2N6O4)

Structural Information

Molecular Formula

SMILES

CC(=O)C(C(=O)NC1=CC=CC=C1)N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC(C(=O)C)C(=O)NC4=CC=CC=C4)Cl)Cl

InChI

InChI=1S/C32H26Cl2N6O4/c1-19(41)29(31(43)35-23-9-5-3-6-10-23)39-37-27-15-13-21(17-25(27)33)22-14-16-28(26(34)18-22)38-40-30(20(2)42)32(44)36-24-11-7-4-8-12-24/h3-18,29-30H,1-2H3,(H,35,43)(H,36,44)

InChIKey

GNCOVOVCHIHPHP-UHFFFAOYSA-N

Compound name

2-[[4-[4-[(1-anilino-1,3-dioxobutan-2-yl)diazenyl]-3-chlorophenyl]-2-chlorophenyl]diazenyl]-3-oxo-N-phenylbutanamide

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]+	629.14658	247.0
[M+Na]+	651.12852	258.2
[M+NH4]+	646.17312	250.7
[M+K]+	667.10246	250.2
[M-H]-	627.13202	256.5
[M+Na-2H]-	649.11397	256.7
[M]+	628.13875	251.4
[M]-	628.13985	251.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

629.14658

247.0

[M+Na]+

651.12852

258.2

[M+NH4]+

646.17312

250.7

[M+K]+

667.10246

250.2

[M-H]-

627.13202

256.5

[M+Na-2H]-

649.11397

256.7

[M]+

628.13875

251.4

[M]-

628.13985

251.4

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

6358-85-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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