CID 99686

2,2'-thiobis(benzamide)

Structural Information

Molecular Formula

C₁₄H₁₂N₂O₂S

SMILES

C1=CC=C(C(=C1)C(=O)N)SC2=CC=CC=C2C(=O)N

InChI

InChI=1S/C14H12N2O2S/c15-13(17)9-5-1-3-7-11(9)19-12-8-4-2-6-10(12)14(16)18/h1-8H,(H2,15,17)(H2,16,18)

InChIKey

VOPSSNOIPOBPFI-UHFFFAOYSA-N

Compound name

2-(2-carbamoylphenyl)sulfanylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 26
Patents: 272.06195 Da
Monoisotopic Mass: 0.3
XlogP (predicted)

Profile

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]+	273.069226	160.4
[M+Na]+	295.051168	167.0
[M-H]-	271.054674	166.3
[M+NH4]+	290.095773	175.6
[M+K]+	311.025108	162.1
[M+H-H2O]+	255.059210	152.7
[M+HCOO]-	317.060151	178.9
[M+CH3COO]-	331.075801	201.0
[M+Na-2H]-	293.036616	160.9
[M]+	272.06140142	159.2
[M]-	272.06249858	159.2

Literature stripe

literature stripe

Patent stripe

patents stripe