CID 3034583

5-oxo-1-phenyl-2-thioxoimidazolidine-4-propionamide

Structural Information

Molecular Formula
C12H13N3O2S
SMILES
C1=CC=C(C=C1)N2C(=O)C(NC2=S)CCC(=O)N
InChI
InChI=1S/C12H13N3O2S/c13-10(16)7-6-9-11(17)15(12(18)14-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,13,16)(H,14,18)
InChIKey
UNCINZHSIAEDPO-UHFFFAOYSA-N
Compound name
3-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

263.07285 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.080126 159.4
[M+Na]+ 286.062068 167.0
[M-H]- 262.065574 161.9
[M+NH4]+ 281.106673 174.5
[M+K]+ 302.036008 161.5
[M+H-H2O]+ 246.070110 152.1
[M+HCOO]- 308.071051 173.5
[M+CH3COO]- 322.086701 193.5
[M+Na-2H]- 284.047516 156.9
[M]+ 263.07230142 156.9
[M]- 263.07339858 156.9
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