PubChemLite - 6505-28-8 (C34H32N6O6)

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)OC)OC

InChI

InChI=1S/C34H32N6O6/c1-21(41)31(33(43)35-25-11-7-5-8-12-25)39-37-27-17-15-23(19-29(27)45-3)24-16-18-28(30(20-24)46-4)38-40-32(22(2)42)34(44)36-26-13-9-6-10-14-26/h5-20,31-32H,1-4H3,(H,35,43)(H,36,44)

InChIKey

DMPXHEMGDYKSFL-UHFFFAOYSA-N

Compound name

2-[[4-[4-[(1-anilino-1,3-dioxobutan-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]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]+	621.24562	249.0
[M+Na]+	643.22756	247.2
[M-H]-	619.23106	264.6
[M+NH4]+	638.27216	248.9
[M+K]+	659.20150	248.3
[M+H-H2O]+	603.23560	233.7
[M+HCOO]-	665.23654	275.9
[M+CH3COO]-	679.25219	287.6
[M+Na-2H]-	641.21301	248.4
[M]+	620.23779	253.8
[M]-	620.23889	253.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

621.24562

249.0

[M+Na]+

643.22756

247.2

[M-H]-

619.23106

264.6

[M+NH4]+

638.27216

248.9

[M+K]+

659.20150

248.3

[M+H-H2O]+

603.23560

233.7

[M+HCOO]-

665.23654

275.9

[M+CH3COO]-

679.25219

287.6

[M+Na-2H]-

641.21301

248.4

[M]+

620.23779

253.8

[M]-

620.23889

253.8

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

6505-28-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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