CID 4109843

Ethyl 2-(((4-chlorophenoxy)acetyl)amino)-5-methyl-1,3-thiazole-4-carboxylate

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]+ 355.05138 178.9
[M+Na]+ 377.03332 187.2
[M-H]- 353.03682 185.1
[M+NH4]+ 372.07792 193.6
[M+K]+ 393.00726 182.8
[M+H-H2O]+ 337.04136 172.0
[M+HCOO]- 399.04230 193.0
[M+CH3COO]- 413.05795 210.2
[M+Na-2H]- 375.01877 177.3
[M]+ 354.04355 187.4
[M]- 354.04465 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.