PubChemLite - 882864-38-2 (C34H30N2O10)

Structural Information

Molecular Formula

SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC3=C(C=C2)C(=O)C4=C(C3=O)C=CC(=C4)NC(=O)C5=CC(=C(C(=C5)OC)OC)OC

InChI

InChI=1S/C34H30N2O10/c1-41-25-11-17(12-26(42-2)31(25)45-5)33(39)35-19-7-9-21-23(15-19)29(37)22-10-8-20(16-24(22)30(21)38)36-34(40)18-13-27(43-3)32(46-6)28(14-18)44-4/h7-16H,1-6H3,(H,35,39)(H,36,40)

InChIKey

JIBOMNMMNQJHTC-UHFFFAOYSA-N

Compound name

N-[9,10-dioxo-6-[(3,4,5-trimethoxybenzoyl)amino]anthracen-2-yl]-3,4,5-trimethoxybenzamide

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]+	627.19734	247.8
[M+Na]+	649.17928	252.5
[M-H]-	625.18278	258.9
[M+NH4]+	644.22388	249.5
[M+K]+	665.15322	253.3
[M+H-H2O]+	609.18732	234.1
[M+HCOO]-	671.18826	264.8
[M+CH3COO]-	685.20391	277.1
[M+Na-2H]-	647.16473	246.0
[M]+	626.18951	258.8
[M]-	626.19061	258.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

627.19734

247.8

[M+Na]+

649.17928

252.5

[M-H]-

625.18278

258.9

[M+NH4]+

644.22388

249.5

[M+K]+

665.15322

253.3

[M+H-H2O]+

609.18732

234.1

[M+HCOO]-

671.18826

264.8

[M+CH3COO]-

685.20391

277.1

[M+Na-2H]-

647.16473

246.0

[M]+

626.18951

258.8

[M]-

626.19061

258.8

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

882864-38-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe