CID 1850316

74531-91-2

Structural Information

Molecular Formula
C13H11ClN2O3S
SMILES
CCOC(=O)C(=O)NC1=NC(=CS1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H11ClN2O3S/c1-2-19-12(18)11(17)16-13-15-10(7-20-13)8-3-5-9(14)6-4-8/h3-7H,2H2,1H3,(H,15,16,17)
InChIKey
WJIQHHSCTHHVQD-UHFFFAOYSA-N
Compound name
ethyl 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

310.01788 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.025156 167.9
[M+Na]+ 333.007098 176.7
[M-H]- 309.010604 174.2
[M+NH4]+ 328.051703 184.4
[M+K]+ 348.981038 172.1
[M+H-H2O]+ 293.015140 161.3
[M+HCOO]- 355.016081 182.5
[M+CH3COO]- 369.031731 200.3
[M+Na-2H]- 330.992546 167.6
[M]+ 310.01733142 173.8
[M]- 310.01842858 173.8
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