PubChemLite - N-(4-acetylphenyl)-2-[[2-[(4-acetylphenyl)carbamoyl]phenyl]disulfanyl]benzamide (C30H24N2O4S2)

Structural Information

Molecular Formula

SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SSC3=CC=CC=C3C(=O)NC4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C30H24N2O4S2/c1-19(33)21-11-15-23(16-12-21)31-29(35)25-7-3-5-9-27(25)37-38-28-10-6-4-8-26(28)30(36)32-24-17-13-22(14-18-24)20(2)34/h3-18H,1-2H3,(H,31,35)(H,32,36)

InChIKey

PKTONYVTUDFJLK-UHFFFAOYSA-N

Compound name

N-(4-acetylphenyl)-2-[[2-[(4-acetylphenyl)carbamoyl]phenyl]disulfanyl]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]+	541.12502	227.6
[M+Na]+	563.10696	230.1
[M-H]-	539.11046	237.9
[M+NH4]+	558.15156	231.1
[M+K]+	579.08090	222.7
[M+H-H2O]+	523.11500	216.5
[M+HCOO]-	585.11594	237.7
[M+CH3COO]-	599.13159	250.4
[M+Na-2H]-	561.09241	225.3
[M]+	540.11719	230.0
[M]-	540.11829	230.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

541.12502

227.6

[M+Na]+

563.10696

230.1

[M-H]-

539.11046

237.9

[M+NH4]+

558.15156

231.1

[M+K]+

579.08090

222.7

[M+H-H2O]+

523.11500

216.5

[M+HCOO]-

585.11594

237.7

[M+CH3COO]-

599.13159

250.4

[M+Na-2H]-

561.09241

225.3

[M]+

540.11719

230.0

[M]-

540.11829

230.0

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

N-(4-acetylphenyl)-2-[[2-[(4-acetylphenyl)carbamoyl]phenyl]disulfanyl]benzamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe