CID 54592485

2-chloro-n-{4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl}acetamide

Structural Information

Molecular Formula
C14H15ClN2OS
SMILES
CC1=CC=C(C=C1)CC2=C(N=C(S2)NC(=O)CCl)C
InChI
InChI=1S/C14H15ClN2OS/c1-9-3-5-11(6-4-9)7-12-10(2)16-14(19-12)17-13(18)8-15/h3-6H,7-8H2,1-2H3,(H,16,17,18)
InChIKey
QSBRIZFWLRXFIY-UHFFFAOYSA-N
Compound name
2-chloro-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.05936 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.06664 166.4
[M+Na]+ 317.04858 175.9
[M-H]- 293.05208 172.6
[M+NH4]+ 312.09318 184.0
[M+K]+ 333.02252 169.9
[M+H-H2O]+ 277.05662 159.8
[M+HCOO]- 339.05756 180.9
[M+CH3COO]- 353.07321 201.5
[M+Na-2H]- 315.03403 165.6
[M]+ 294.05881 171.6
[M]- 294.05991 171.6
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.