CID 470180

Ethyl 2-(2-chloroacetamido)-4-thiazoleacetate

Structural Information

Molecular Formula
C9H11ClN2O3S
SMILES
CCOC(=O)CC1=CSC(=N1)NC(=O)CCl
InChI
InChI=1S/C9H11ClN2O3S/c1-2-15-8(14)3-6-5-16-9(11-6)12-7(13)4-10/h5H,2-4H2,1H3,(H,11,12,13)
InChIKey
HIQNYVMHIBFTCT-UHFFFAOYSA-N
Compound name
ethyl 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

40
Patents

262.01788 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.025156 155.8
[M+Na]+ 285.007098 163.9
[M-H]- 261.010604 158.6
[M+NH4]+ 280.051703 174.1
[M+K]+ 300.981038 160.6
[M+H-H2O]+ 245.015140 150.0
[M+HCOO]- 307.016081 170.0
[M+CH3COO]- 321.031731 192.2
[M+Na-2H]- 282.992546 155.6
[M]+ 262.01733142 162.0
[M]- 262.01842858 162.0
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

patents stripe