PubChemLite - 2,2'-dithiobis(n-(naphth-2-yl)benzamide) (C34H24N2O2S2)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C=C(C=CC2=C1)NC(=O)C3=CC=CC=C3SSC4=CC=CC=C4C(=O)NC5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C34H24N2O2S2/c37-33(35-27-19-17-23-9-1-3-11-25(23)21-27)29-13-5-7-15-31(29)39-40-32-16-8-6-14-30(32)34(38)36-28-20-18-24-10-2-4-12-26(24)22-28/h1-22H,(H,35,37)(H,36,38)

InChIKey

GNNYNHXPSRGTGJ-UHFFFAOYSA-N

Compound name

N-naphthalen-2-yl-2-[[2-(naphthalen-2-ylcarbamoyl)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]+	557.13518	225.7
[M+Na]+	579.11712	231.1
[M-H]-	555.12062	237.1
[M+NH4]+	574.16172	230.7
[M+K]+	595.09106	221.7
[M+H-H2O]+	539.12516	214.5
[M+HCOO]-	601.12610	236.8
[M+CH3COO]-	615.14175	231.4
[M+Na-2H]-	577.10257	231.0
[M]+	556.12735	228.0
[M]-	556.12845	228.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

557.13518

225.7

[M+Na]+

579.11712

231.1

[M-H]-

555.12062

237.1

[M+NH4]+

574.16172

230.7

[M+K]+

595.09106

221.7

[M+H-H2O]+

539.12516

214.5

[M+HCOO]-

601.12610

236.8

[M+CH3COO]-

615.14175

231.4

[M+Na-2H]-

577.10257

231.0

[M]+

556.12735

228.0

[M]-

556.12845

228.0

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-(naphth-2-yl)benzamide)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe