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
1
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]+ 264.08013 159.4
[M+Na]+ 286.06207 167.0
[M-H]- 262.06557 161.9
[M+NH4]+ 281.10667 174.5
[M+K]+ 302.03601 161.5
[M+H-H2O]+ 246.07011 152.1
[M+HCOO]- 308.07105 173.5
[M+CH3COO]- 322.08670 193.5
[M+Na-2H]- 284.04752 156.9
[M]+ 263.07230 156.9
[M]- 263.07340 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