CID 726214

2-chloro-n-[5-(4-methylbenzyl)-1,3-thiazol-2-yl]acetamide

Structural Information

Molecular Formula
C13H13ClN2OS
SMILES
CC1=CC=C(C=C1)CC2=CN=C(S2)NC(=O)CCl
InChI
InChI=1S/C13H13ClN2OS/c1-9-2-4-10(5-3-9)6-11-8-15-13(18-11)16-12(17)7-14/h2-5,8H,6-7H2,1H3,(H,15,16,17)
InChIKey
KWRWWLMPBKYRKU-UHFFFAOYSA-N
Compound name
2-chloro-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.0437 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.05098 162.3
[M+Na]+ 303.03292 175.1
[M+NH4]+ 298.07752 171.0
[M+K]+ 319.00686 167.1
[M-H]- 279.03642 166.2
[M+Na-2H]- 301.01837 169.4
[M]+ 280.04315 165.9
[M]- 280.04425 165.9
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.