CID 824089

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

Structural Information

Molecular Formula
C12H11ClN2OS
SMILES
CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCl
InChI
InChI=1S/C12H11ClN2OS/c1-8-2-4-9(5-3-8)10-7-17-12(14-10)15-11(16)6-13/h2-5,7H,6H2,1H3,(H,14,15,16)
InChIKey
OVZLZSDKRSUJAB-UHFFFAOYSA-N
Compound name
2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

266.02808 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.03536 157.5
[M+Na]+ 289.01730 167.2
[M-H]- 265.02080 163.8
[M+NH4]+ 284.06190 176.0
[M+K]+ 304.99124 161.6
[M+H-H2O]+ 249.02534 151.1
[M+HCOO]- 311.02628 172.8
[M+CH3COO]- 325.04193 194.4
[M+Na-2H]- 287.00275 158.4
[M]+ 266.02753 161.7
[M]- 266.02863 161.7
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

patents stripe