CID 260527

2-mercapto-n-methyl-n-phenylbenzamide

Structural Information

Molecular Formula

C₁₄H₁₃NOS

SMILES

CN(C1=CC=CC=C1)C(=O)C2=CC=CC=C2S

InChI

InChI=1S/C14H13NOS/c1-15(11-7-3-2-4-8-11)14(16)12-9-5-6-10-13(12)17/h2-10,17H,1H3

InChIKey

IXJTZQKWVLTXPZ-UHFFFAOYSA-N

Compound name

N-methyl-N-phenyl-2-sulfanylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 243.0718 Da
Monoisotopic Mass: 2.5
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]+	244.07908	153.2
[M+Na]+	266.06102	160.4
[M-H]-	242.06452	161.6
[M+NH4]+	261.10562	171.4
[M+K]+	282.03496	157.2
[M+H-H2O]+	226.06906	145.6
[M+HCOO]-	288.07000	173.3
[M+CH3COO]-	302.08565	196.5
[M+Na-2H]-	264.04647	156.2
[M]+	243.07125	155.5
[M]-	243.07235	155.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.