CID 780717

5-(2,4-dimethoxybenzylidene)-2-thioxo-4-imidazolidinone

Structural Information

Molecular Formula
C12H12N2O3S
SMILES
COC1=CC(=C(C=C1)/C=C/2\C(=O)NC(=S)N2)OC
InChI
InChI=1S/C12H12N2O3S/c1-16-8-4-3-7(10(6-8)17-2)5-9-11(15)14-12(18)13-9/h3-6H,1-2H3,(H2,13,14,15,18)/b9-5+
InChIKey
JHMBQVSJISJQIR-WEVVVXLNSA-N
Compound name
(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
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 158.8
[M+Na]+ 287.04607 168.0
[M-H]- 263.04957 160.9
[M+NH4]+ 282.09067 174.2
[M+K]+ 303.02001 162.1
[M+H-H2O]+ 247.05411 152.3
[M+HCOO]- 309.05505 172.3
[M+CH3COO]- 323.07070 188.5
[M+Na-2H]- 285.03152 156.7
[M]+ 264.05630 158.6
[M]- 264.05740 158.6
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