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 186.3
[M+Na]+ 391.07229 194.7
[M-H]- 367.07579 192.8
[M+NH4]+ 386.11689 197.6
[M+K]+ 407.04623 188.3
[M+H-H2O]+ 351.08033 178.0
[M+HCOO]- 413.08127 199.8
[M+CH3COO]- 427.09692 210.7
[M+Na-2H]- 389.05774 182.2
[M]+ 368.08252 188.2
[M]- 368.08362 188.2
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.