PubChemLite - 75311-81-8 (C30H22N2O6)

Structural Information

Molecular Formula

SMILES

COC1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)NC(=O)C5=CC=C(C=C5)OC

InChI

InChI=1S/C30H22N2O6/c1-37-19-13-9-17(10-14-19)29(35)31-23-7-3-5-21-25(23)27(33)22-6-4-8-24(26(22)28(21)34)32-30(36)18-11-15-20(38-2)16-12-18/h3-16H,1-2H3,(H,31,35)(H,32,36)

InChIKey

JAXCBQWXGCQMLT-UHFFFAOYSA-N

Compound name

4-methoxy-N-[5-[(4-methoxybenzoyl)amino]-9,10-dioxoanthracen-1-yl]benzamide

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]+	507.15508	219.9
[M+Na]+	529.13702	225.2
[M-H]-	505.14052	230.8
[M+NH4]+	524.18162	226.4
[M+K]+	545.11096	221.3
[M+H-H2O]+	489.14506	207.5
[M+HCOO]-	551.14600	238.6
[M+CH3COO]-	565.16165	251.2
[M+Na-2H]-	527.12247	221.5
[M]+	506.14725	222.8
[M]-	506.14835	222.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

507.15508

219.9

[M+Na]+

529.13702

225.2

[M-H]-

505.14052

230.8

[M+NH4]+

524.18162

226.4

[M+K]+

545.11096

221.3

[M+H-H2O]+

489.14506

207.5

[M+HCOO]-

551.14600

238.6

[M+CH3COO]-

565.16165

251.2

[M+Na-2H]-

527.12247

221.5

[M]+

506.14725

222.8

[M]-

506.14835

222.8

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

75311-81-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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