CID 1720818

(5z)-5-(3,5-dimethoxybenzylidene)-2-thioxoimidazolidin-4-one

Structural Information

Molecular Formula
C12H12N2O3S
SMILES
COC1=CC(=CC(=C1)/C=C\2/C(=O)NC(=S)N2)OC
InChI
InChI=1S/C12H12N2O3S/c1-16-8-3-7(4-9(6-8)17-2)5-10-11(15)14-12(18)13-10/h3-6H,1-2H3,(H2,13,14,15,18)/b10-5-
InChIKey
SXBGOUWIALXAOL-YHYXMXQVSA-N
Compound name
(5Z)-5-[(3,5-dimethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.05685 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.06413 161.3
[M+Na]+ 287.04607 171.7
[M+NH4]+ 282.09067 167.1
[M+K]+ 303.02001 166.2
[M-H]- 263.04957 161.5
[M+Na-2H]- 285.03152 164.0
[M]+ 264.05630 162.9
[M]- 264.05740 162.9
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

No patent data available for this compound.