CID 3085277

1-imidazolidineacetic acid, 4-oxo-3-phenyl-2-thioxo-, ethyl ester

Structural Information

Molecular Formula
C13H14N2O3S
SMILES
CCOC(=O)CN1CC(=O)N(C1=S)C2=CC=CC=C2
InChI
InChI=1S/C13H14N2O3S/c1-2-18-12(17)9-14-8-11(16)15(13(14)19)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKey
MPTNHQLTUWFUAN-UHFFFAOYSA-N
Compound name
ethyl 2-(4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

278.0725 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.07978 162.5
[M+Na]+ 301.06172 171.0
[M-H]- 277.06522 167.0
[M+NH4]+ 296.10632 178.4
[M+K]+ 317.03566 167.2
[M+H-H2O]+ 261.06976 155.1
[M+HCOO]- 323.07070 177.7
[M+CH3COO]- 337.08635 196.0
[M+Na-2H]- 299.04717 160.4
[M]+ 278.07195 165.3
[M]- 278.07305 165.3
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

patents stripe