CID 726261

N-[5-(2-chlorobenzyl)-1,3-thiazol-2-yl]-4-methylbenzamide

Structural Information

Molecular Formula
C18H15ClN2OS
SMILES
CC1=CC=C(C=C1)C(=O)NC2=NC=C(S2)CC3=CC=CC=C3Cl
InChI
InChI=1S/C18H15ClN2OS/c1-12-6-8-13(9-7-12)17(22)21-18-20-11-15(23-18)10-14-4-2-3-5-16(14)19/h2-9,11H,10H2,1H3,(H,20,21,22)
InChIKey
QUKUFDCQWUMGLI-UHFFFAOYSA-N
Compound name
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.05936 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.06664 178.9
[M+Na]+ 365.04858 188.2
[M-H]- 341.05208 188.1
[M+NH4]+ 360.09318 194.0
[M+K]+ 381.02252 180.8
[M+H-H2O]+ 325.05662 171.0
[M+HCOO]- 387.05756 193.6
[M+CH3COO]- 401.07321 190.2
[M+Na-2H]- 363.03403 178.6
[M]+ 342.05881 183.2
[M]- 342.05991 183.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.