PubChemLite - 2,2'-dithiobis(n,n-diphenylbenzamide) (C38H28N2O2S2)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)C3=CC=CC=C3SSC4=CC=CC=C4C(=O)N(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C38H28N2O2S2/c41-37(39(29-17-5-1-6-18-29)30-19-7-2-8-20-30)33-25-13-15-27-35(33)43-44-36-28-16-14-26-34(36)38(42)40(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-28H

InChIKey

UYDBRJGZWRRGOQ-UHFFFAOYSA-N

Compound name

2-[[2-(diphenylcarbamoyl)phenyl]disulfanyl]-N,N-diphenylbenzamide

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]+	609.16652	243.8
[M+Na]+	631.14846	245.2
[M-H]-	607.15196	260.2
[M+NH4]+	626.19306	244.5
[M+K]+	647.12240	237.5
[M+H-H2O]+	591.15650	230.2
[M+HCOO]-	653.15744	255.7
[M+CH3COO]-	667.17309	248.0
[M+Na-2H]-	629.13391	244.3
[M]+	608.15869	244.0
[M]-	608.15979	244.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

609.16652

243.8

[M+Na]+

631.14846

245.2

[M-H]-

607.15196

260.2

[M+NH4]+

626.19306

244.5

[M+K]+

647.12240

237.5

[M+H-H2O]+

591.15650

230.2

[M+HCOO]-

653.15744

255.7

[M+CH3COO]-

667.17309

248.0

[M+Na-2H]-

629.13391

244.3

[M]+

608.15869

244.0

[M]-

608.15979

244.0

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

2,2'-dithiobis(n,n-diphenylbenzamide)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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