PubChemLite - Benzamide, n-(9,10-dihydro-4,5-bis((4-methylphenyl)amino)-9,10-dioxo-1-anthracenyl)- (C35H27N3O3)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)NC2=C3C(=C(C=C2)NC(=O)C4=CC=CC=C4)C(=O)C5=C(C3=O)C(=CC=C5)NC6=CC=C(C=C6)C

InChI

InChI=1S/C35H27N3O3/c1-21-11-15-24(16-12-21)36-27-10-6-9-26-30(27)34(40)32-28(37-25-17-13-22(2)14-18-25)19-20-29(31(32)33(26)39)38-35(41)23-7-4-3-5-8-23/h3-20,36-37H,1-2H3,(H,38,41)

InChIKey

PHESYJSKVFUDNV-UHFFFAOYSA-N

Compound name

N-[4,5-bis(4-methylanilino)-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]+	538.21254	232.1
[M+Na]+	560.19448	237.1
[M-H]-	536.19798	245.3
[M+NH4]+	555.23908	236.9
[M+K]+	576.16842	229.9
[M+H-H2O]+	520.20252	218.0
[M+HCOO]-	582.20346	251.2
[M+CH3COO]-	596.21911	238.2
[M+Na-2H]-	558.17993	233.9
[M]+	537.20471	230.8
[M]-	537.20581	230.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

538.21254

232.1

[M+Na]+

560.19448

237.1

[M-H]-

536.19798

245.3

[M+NH4]+

555.23908

236.9

[M+K]+

576.16842

229.9

[M+H-H2O]+

520.20252

218.0

[M+HCOO]-

582.20346

251.2

[M+CH3COO]-

596.21911

238.2

[M+Na-2H]-

558.17993

233.9

[M]+

537.20471

230.8

[M]-

537.20581

230.8

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

Benzamide, n-(9,10-dihydro-4,5-bis((4-methylphenyl)amino)-9,10-dioxo-1-anthracenyl)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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