CID 2384258

2247105-45-7

Structural Information

Molecular Formula
C15H17ClN2OS
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCl
InChI
InChI=1S/C15H17ClN2OS/c1-15(2,3)11-6-4-10(5-7-11)12-9-20-14(17-12)18-13(19)8-16/h4-7,9H,8H2,1-3H3,(H,17,18,19)
InChIKey
KDLGEXHRCONWFR-UHFFFAOYSA-N
Compound name
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-chloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.075 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.08228 172.3
[M+Na]+ 331.06422 181.0
[M-H]- 307.06772 178.4
[M+NH4]+ 326.10882 189.2
[M+K]+ 347.03816 175.2
[M+H-H2O]+ 291.07226 165.9
[M+HCOO]- 353.07320 185.0
[M+CH3COO]- 367.08885 203.1
[M+Na-2H]- 329.04967 172.6
[M]+ 308.07445 176.9
[M]- 308.07555 176.9
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.