CID 482053

Methyl 2-oxo-2-[2-(phenethylcarbamoylamino)thiazol-4-yl]acetate

Structural Information

Molecular Formula
C15H15N3O4S
SMILES
COC(=O)C(=O)C1=CSC(=N1)NC(=O)NCCC2=CC=CC=C2
InChI
InChI=1S/C15H15N3O4S/c1-22-13(20)12(19)11-9-23-15(17-11)18-14(21)16-8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,16,17,18,21)
InChIKey
VBSQFLFZFIIGGL-UHFFFAOYSA-N
Compound name
methyl 2-oxo-2-[2-(2-phenylethylcarbamoylamino)-1,3-thiazol-4-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.07834 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.08562 176.4
[M+Na]+ 356.06756 181.3
[M-H]- 332.07106 181.8
[M+NH4]+ 351.11216 189.8
[M+K]+ 372.04150 178.4
[M+H-H2O]+ 316.07560 167.8
[M+HCOO]- 378.07654 195.1
[M+CH3COO]- 392.09219 208.8
[M+Na-2H]- 354.05301 176.2
[M]+ 333.07779 179.8
[M]- 333.07889 179.8
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

No patent data available for this compound.