CID 799139

72225-21-9

Structural Information

Molecular Formula

C₁₁H₁₂N₂OS

SMILES

CC1=CC(=CC=C1)C(=O)NC2=NCCS2

InChI

InChI=1S/C11H12N2OS/c1-8-3-2-4-9(7-8)10(14)13-11-12-5-6-15-11/h2-4,7H,5-6H2,1H3,(H,12,13,14)

InChIKey

ZPPXSYPBRRFKCX-UHFFFAOYSA-N

Compound name

N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1
Patents: 220.06703 Da
Monoisotopic Mass: 2.0
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]+	221.074306	147.8
[M+Na]+	243.056248	155.4
[M-H]-	219.059754	153.6
[M+NH4]+	238.100853	167.0
[M+K]+	259.030188	152.0
[M+H-H2O]+	203.064290	140.7
[M+HCOO]-	265.065231	166.7
[M+CH3COO]-	279.080881	186.3
[M+Na-2H]-	241.041696	149.4
[M]+	220.06648142	147.8
[M]-	220.06757858	147.8

Literature stripe

literature stripe

Patent stripe

patents stripe