CID 920003

6202-74-0

Structural Information

Molecular Formula
C12H11ClN2O2S
SMILES
COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCl
InChI
InChI=1S/C12H11ClN2O2S/c1-17-9-4-2-8(3-5-9)10-7-18-12(14-10)15-11(16)6-13/h2-5,7H,6H2,1H3,(H,14,15,16)
InChIKey
TUHPWXHMMCWTON-UHFFFAOYSA-N
Compound name
2-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.02298 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.03026 160.5
[M+Na]+ 305.01220 169.9
[M-H]- 281.01570 166.8
[M+NH4]+ 300.05680 178.2
[M+K]+ 320.98614 164.9
[M+H-H2O]+ 265.02024 153.9
[M+HCOO]- 327.02118 176.0
[M+CH3COO]- 341.03683 196.5
[M+Na-2H]- 302.99765 161.6
[M]+ 282.02243 166.0
[M]- 282.02353 166.0
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

No patent data available for this compound.