CID 2437250

3-benzoyl-5-[(2,4-dimethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

Structural Information

Molecular Formula
C19H16N2O4S
SMILES
COC1=CC(=C(C=C1)/C=C\2/C(=O)N(C(=S)N2)C(=O)C3=CC=CC=C3)OC
InChI
InChI=1S/C19H16N2O4S/c1-24-14-9-8-13(16(11-14)25-2)10-15-18(23)21(19(26)20-15)17(22)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,20,26)/b15-10-
InChIKey
WKBRJSOQWXVUFM-GDNBJRDFSA-N
Compound name
(5Z)-3-benzoyl-5-[(2,4-dimethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.08307 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.09035 187.2
[M+Na]+ 391.07229 199.3
[M+NH4]+ 386.11689 192.5
[M+K]+ 407.04623 193.0
[M-H]- 367.07579 189.7
[M+Na-2H]- 389.05774 192.2
[M]+ 368.08252 189.8
[M]- 368.08362 189.8
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.