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

literature stripe

Patent stripe

patents stripe