CID 746867

5-(3-phenylallylidene)-2-thioxoimidazolidin-4-one

Structural Information

Molecular Formula
C12H10N2OS
SMILES
C1=CC=C(C=C1)/C=C/C=C/2\C(=O)NC(=S)N2
InChI
InChI=1S/C12H10N2OS/c15-11-10(13-12(16)14-11)8-4-7-9-5-2-1-3-6-9/h1-8H,(H2,13,14,15,16)/b7-4+,10-8+
InChIKey
LGQKHJZJGVVDAQ-DAAQNPAKSA-N
Compound name
(5E)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

230.05139 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.05867 152.4
[M+Na]+ 253.04061 160.8
[M-H]- 229.04411 153.9
[M+NH4]+ 248.08521 168.8
[M+K]+ 269.01455 153.2
[M+H-H2O]+ 213.04865 145.7
[M+HCOO]- 275.04959 165.8
[M+CH3COO]- 289.06524 180.3
[M+Na-2H]- 251.02606 151.3
[M]+ 230.05084 147.8
[M]- 230.05194 147.8
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.