CID 722749

5-((4-methoxyphenyl)methylene)-2-thioxo-4-imidazolidinone

Structural Information

Molecular Formula
C11H10N2O2S
SMILES
COC1=CC=C(C=C1)/C=C\2/C(=O)NC(=S)N2
InChI
InChI=1S/C11H10N2O2S/c1-15-8-4-2-7(3-5-8)6-9-10(14)13-11(16)12-9/h2-6H,1H3,(H2,12,13,14,16)/b9-6-
InChIKey
XNQUYEHNKGAJNI-TWGQIWQCSA-N
Compound name
(5Z)-5-[(4-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

15
Patents

234.0463 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.05358 151.6
[M+Na]+ 257.03552 160.7
[M-H]- 233.03902 153.5
[M+NH4]+ 252.08012 168.1
[M+K]+ 273.00946 154.5
[M+H-H2O]+ 217.04356 145.1
[M+HCOO]- 279.04450 165.3
[M+CH3COO]- 293.06015 182.1
[M+Na-2H]- 255.02097 150.5
[M]+ 234.04575 149.2
[M]- 234.04685 149.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe