PubChemLite - Einecs 277-936-3 (C28H24Cl4N6O4)

Structural Information

Molecular Formula

SMILES

CC1=CC(=C(C=C1NC(=O)C(C(=O)C)N=NC2=C(C=C(C=C2)Cl)Cl)C)NC(=O)C(C(=O)C)N=NC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C28H24Cl4N6O4/c1-13-9-24(34-28(42)26(16(4)40)38-36-22-8-6-18(30)12-20(22)32)14(2)10-23(13)33-27(41)25(15(3)39)37-35-21-7-5-17(29)11-19(21)31/h5-12,25-26H,1-4H3,(H,33,41)(H,34,42)

InChIKey

AGWFOGQTVYBHTM-UHFFFAOYSA-N

Compound name

2-[(2,4-dichlorophenyl)diazenyl]-N-[4-[[2-[(2,4-dichlorophenyl)diazenyl]-3-oxobutanoyl]amino]-2,5-dimethylphenyl]-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]+	649.06862	253.1
[M+Na]+	671.05056	257.8
[M-H]-	647.05406	264.0
[M+NH4]+	666.09516	256.8
[M+K]+	687.02450	255.2
[M+H-H2O]+	631.05860	245.0
[M+HCOO]-	693.05954	261.7
[M+CH3COO]-	707.07519	284.0
[M+Na-2H]-	669.03601	246.5
[M]+	648.06079	263.2
[M]-	648.06189	263.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

649.06862

253.1

[M+Na]+

671.05056

257.8

[M-H]-

647.05406

264.0

[M+NH4]+

666.09516

256.8

[M+K]+

687.02450

255.2

[M+H-H2O]+

631.05860

245.0

[M+HCOO]-

693.05954

261.7

[M+CH3COO]-

707.07519

284.0

[M+Na-2H]-

669.03601

246.5

[M]+

648.06079

263.2

[M]-

648.06189

263.2

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

Einecs 277-936-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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