CID 1850316

F 1864

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]+ 311.02516 167.9
[M+Na]+ 333.00710 176.7
[M-H]- 309.01060 174.2
[M+NH4]+ 328.05170 184.4
[M+K]+ 348.98104 172.1
[M+H-H2O]+ 293.01514 161.3
[M+HCOO]- 355.01608 182.5
[M+CH3COO]- 369.03173 200.3
[M+Na-2H]- 330.99255 167.6
[M]+ 310.01733 173.8
[M]- 310.01843 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