PubChemLite - Einecs 228-789-9 (C34H32N6O4)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C34H32N6O4/c1-21-19-25(15-17-29(21)37-39-31(23(3)41)33(43)35-27-11-7-5-8-12-27)26-16-18-30(22(2)20-26)38-40-32(24(4)42)34(44)36-28-13-9-6-10-14-28/h5-20,31-32H,1-4H3,(H,35,43)(H,36,44)

InChIKey

XRCLOLLTHNRVRB-UHFFFAOYSA-N

Compound name

2-[[4-[4-[(1-anilino-1,3-dioxobutan-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]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]+	589.25578	245.5
[M+Na]+	611.23772	244.5
[M-H]-	587.24122	261.3
[M+NH4]+	606.28232	247.1
[M+K]+	627.21166	243.6
[M+H-H2O]+	571.24576	230.7
[M+HCOO]-	633.24670	272.3
[M+CH3COO]-	647.26235	283.4
[M+Na-2H]-	609.22317	244.2
[M]+	588.24795	247.9
[M]-	588.24905	247.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

589.25578

245.5

[M+Na]+

611.23772

244.5

[M-H]-

587.24122

261.3

[M+NH4]+

606.28232

247.1

[M+K]+

627.21166

243.6

[M+H-H2O]+

571.24576

230.7

[M+HCOO]-

633.24670

272.3

[M+CH3COO]-

647.26235

283.4

[M+Na-2H]-

609.22317

244.2

[M]+

588.24795

247.9

[M]-

588.24905

247.9

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

Einecs 228-789-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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