CID 4109843

421580-82-7

Structural Information

Molecular Formula
C15H15ClN2O4S
SMILES
CCOC(=O)C1=C(SC(=N1)NC(=O)COC2=CC=C(C=C2)Cl)C
InChI
InChI=1S/C15H15ClN2O4S/c1-3-21-14(20)13-9(2)23-15(18-13)17-12(19)8-22-11-6-4-10(16)5-7-11/h4-7H,3,8H2,1-2H3,(H,17,18,19)
InChIKey
OBZGNRJGYLWTGW-UHFFFAOYSA-N
Compound name
ethyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-5-methyl-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.0441 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.051376 178.9
[M+Na]+ 377.033318 187.2
[M-H]- 353.036824 185.1
[M+NH4]+ 372.077923 193.6
[M+K]+ 393.007258 182.8
[M+H-H2O]+ 337.041360 172.0
[M+HCOO]- 399.042301 193.0
[M+CH3COO]- 413.057951 210.2
[M+Na-2H]- 375.018766 177.3
[M]+ 354.04355142 187.4
[M]- 354.04464858 187.4
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

No patent data available for this compound.