PubChemLite - Benzamide, n-(9,10-dihydro-5,8-bis((4-methylphenyl)amino)-9,10-dioxo-1-anthracenyl)-4-nitro- (C35H26N4O5)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)NC2=C3C(=C(C=C2)NC4=CC=C(C=C4)C)C(=O)C5=C(C3=O)C=CC=C5NC(=O)C6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C35H26N4O5/c1-20-6-12-23(13-7-20)36-28-18-19-29(37-24-14-8-21(2)9-15-24)32-31(28)33(40)26-4-3-5-27(30(26)34(32)41)38-35(42)22-10-16-25(17-11-22)39(43)44/h3-19,36-37H,1-2H3,(H,38,42)

InChIKey

TWDBXXGBCZTVQG-UHFFFAOYSA-N

Compound name

N-[5,8-bis(4-methylanilino)-9,10-dioxoanthracen-1-yl]-4-nitrobenzamide

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]+	583.19758	238.5
[M+Na]+	605.17952	240.3
[M-H]-	581.18302	251.1
[M+NH4]+	600.22412	239.8
[M+K]+	621.15346	230.8
[M+H-H2O]+	565.18756	227.8
[M+HCOO]-	627.18850	257.5
[M+CH3COO]-	641.20415	263.6
[M+Na-2H]-	603.16497	242.1
[M]+	582.18975	235.9
[M]-	582.19085	235.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

583.19758

238.5

[M+Na]+

605.17952

240.3

[M-H]-

581.18302

251.1

[M+NH4]+

600.22412

239.8

[M+K]+

621.15346

230.8

[M+H-H2O]+

565.18756

227.8

[M+HCOO]-

627.18850

257.5

[M+CH3COO]-

641.20415

263.6

[M+Na-2H]-

603.16497

242.1

[M]+

582.18975

235.9

[M]-

582.19085

235.9

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-5,8-bis((4-methylphenyl)amino)-9,10-dioxo-1-anthracenyl)-4-nitro-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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