PubChemLite - 882864-40-6 (C32H26N2O8)

Structural Information

Molecular Formula

SMILES

COC1=C(C=C(C=C1)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/C32H26N2O8/c1-39-25-11-5-17(13-27(25)41-3)31(37)33-19-7-9-21-23(15-19)29(35)22-10-8-20(16-24(22)30(21)36)34-32(38)18-6-12-26(40-2)28(14-18)42-4/h5-16H,1-4H3,(H,33,37)(H,34,38)

InChIKey

IUQITYNTRLFDBD-UHFFFAOYSA-N

Compound name

N-[6-[(3,4-dimethoxybenzoyl)amino]-9,10-dioxoanthracen-2-yl]-3,4-dimethoxybenzamide

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]+	567.17623	234.3
[M+Na]+	589.15817	239.4
[M-H]-	565.16167	245.3
[M+NH4]+	584.20277	238.4
[M+K]+	605.13211	237.8
[M+H-H2O]+	549.16621	221.2
[M+HCOO]-	611.16715	252.2
[M+CH3COO]-	625.18280	264.2
[M+Na-2H]-	587.14362	234.1
[M]+	566.16840	241.3
[M]-	566.16950	241.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

567.17623

234.3

[M+Na]+

589.15817

239.4

[M-H]-

565.16167

245.3

[M+NH4]+

584.20277

238.4

[M+K]+

605.13211

237.8

[M+H-H2O]+

549.16621

221.2

[M+HCOO]-

611.16715

252.2

[M+CH3COO]-

625.18280

264.2

[M+Na-2H]-

587.14362

234.1

[M]+

566.16840

241.3

[M]-

566.16950

241.3

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

882864-40-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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