CID 3777220

N-{4-[4-(butan-2-yl)phenyl]-1,3-thiazol-2-yl}-2-chloroacetamide

Structural Information

Molecular Formula
C15H17ClN2OS
SMILES
CCC(C)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCl
InChI
InChI=1S/C15H17ClN2OS/c1-3-10(2)11-4-6-12(7-5-11)13-9-20-15(17-13)18-14(19)8-16/h4-7,9-10H,3,8H2,1-2H3,(H,17,18,19)
InChIKey
VKAVIHUIDOZMNU-UHFFFAOYSA-N
Compound name
N-[4-(4-butan-2-ylphenyl)-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 170.9
[M+Na]+ 331.06422 178.8
[M-H]- 307.06772 176.7
[M+NH4]+ 326.10882 187.6
[M+K]+ 347.03816 173.1
[M+H-H2O]+ 291.07226 164.1
[M+HCOO]- 353.07320 184.2
[M+CH3COO]- 367.08885 204.2
[M+Na-2H]- 329.04967 169.3
[M]+ 308.07445 175.6
[M]- 308.07555 175.6
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.