PubChemLite - 5979-28-2 (C34H28Cl4N6O4)

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)C(C(=O)C)N=NC3=C(C=C(C=C3)Cl)Cl)C)NC(=O)C(C(=O)C)N=NC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C34H28Cl4N6O4/c1-17-13-21(5-9-27(17)39-33(47)31(19(3)45)43-41-29-11-7-23(35)15-25(29)37)22-6-10-28(18(2)14-22)40-34(48)32(20(4)46)44-42-30-12-8-24(36)16-26(30)38/h5-16,31-32H,1-4H3,(H,39,47)(H,40,48)

InChIKey

JFMYRCRXYIIGBB-UHFFFAOYSA-N

Compound name

2-[(2,4-dichlorophenyl)diazenyl]-N-[4-[4-[[2-[(2,4-dichlorophenyl)diazenyl]-3-oxobutanoyl]amino]-3-methylphenyl]-2-methylphenyl]-3-oxobutanamide

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]+	725.09988	265.8
[M+Na]+	747.08182	277.9
[M+NH4]+	742.12642	269.0
[M+K]+	763.05576	268.7
[M-H]-	723.08532	273.7
[M+Na-2H]-	745.06727	272.4
[M]+	724.09205	270.6
[M]-	724.09315	270.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

725.09988

265.8

[M+Na]+

747.08182

277.9

[M+NH4]+

742.12642

269.0

[M+K]+

763.05576

268.7

[M-H]-

723.08532

273.7

[M+Na-2H]-

745.06727

272.4

[M]+

724.09205

270.6

[M]-

724.09315

270.6

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

5979-28-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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