CID 470181

4-thiazoleacetic acid, 2-[(chlorophenylacetyl)amino]-, ethyl ester

Structural Information

Molecular Formula
C15H15ClN2O3S
SMILES
CCOC(=O)CC1=CSC(=N1)NC(=O)C(C2=CC=CC=C2)Cl
InChI
InChI=1S/C15H15ClN2O3S/c1-2-21-12(19)8-11-9-22-15(17-11)18-14(20)13(16)10-6-4-3-5-7-10/h3-7,9,13H,2,8H2,1H3,(H,17,18,20)
InChIKey
OCCOPBGUOXDKHQ-UHFFFAOYSA-N
Compound name
ethyl 2-[2-[(2-chloro-2-phenylacetyl)amino]-1,3-thiazol-4-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.0492 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.05648 176.5
[M+Na]+ 361.03842 183.2
[M-H]- 337.04192 182.2
[M+NH4]+ 356.08302 191.4
[M+K]+ 377.01236 178.6
[M+H-H2O]+ 321.04646 169.4
[M+HCOO]- 383.04740 189.5
[M+CH3COO]- 397.06305 206.5
[M+Na-2H]- 359.02387 175.0
[M]+ 338.04865 182.3
[M]- 338.04975 182.3
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.