PubChemLite - 2,2'-dithiobis(n-(1-naphthylmethyl)benzamide) (C36H28N2O2S2)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)C=CC=C2CNC(=O)C3=CC=CC=C3SSC4=CC=CC=C4C(=O)NCC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C36H28N2O2S2/c39-35(37-23-27-15-9-13-25-11-1-3-17-29(25)27)31-19-5-7-21-33(31)41-42-34-22-8-6-20-32(34)36(40)38-24-28-16-10-14-26-12-2-4-18-30(26)28/h1-22H,23-24H2,(H,37,39)(H,38,40)

InChIKey

SRHXUSYTAWIEAI-UHFFFAOYSA-N

Compound name

N-(naphthalen-1-ylmethyl)-2-[[2-(naphthalen-1-ylmethylcarbamoyl)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]+	585.16652	233.1
[M+Na]+	607.14846	237.5
[M-H]-	583.15196	244.0
[M+NH4]+	602.19306	237.0
[M+K]+	623.12240	227.8
[M+H-H2O]+	567.15650	221.5
[M+HCOO]-	629.15744	243.5
[M+CH3COO]-	643.17309	237.9
[M+Na-2H]-	605.13391	237.5
[M]+	584.15869	235.8
[M]-	584.15979	235.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

585.16652

233.1

[M+Na]+

607.14846

237.5

[M-H]-

583.15196

244.0

[M+NH4]+

602.19306

237.0

[M+K]+

623.12240

227.8

[M+H-H2O]+

567.15650

221.5

[M+HCOO]-

629.15744

243.5

[M+CH3COO]-

643.17309

237.9

[M+Na-2H]-

605.13391

237.5

[M]+

584.15869

235.8

[M]-

584.15979

235.8

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-(1-naphthylmethyl)benzamide)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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