CID 6435205

3-(3-methoxyphenyl)-5-((4-nitrophenyl)methylene)-2-thioxo-4-imidazolidinone

Structural Information

Molecular Formula
C17H13N3O4S
SMILES
COC1=CC=CC(=C1)N2C(=O)/C(=C/C3=CC=C(C=C3)[N+](=O)[O-])/NC2=S
InChI
InChI=1S/C17H13N3O4S/c1-24-14-4-2-3-13(10-14)19-16(21)15(18-17(19)25)9-11-5-7-12(8-6-11)20(22)23/h2-10H,1H3,(H,18,25)/b15-9-
InChIKey
WNRQCVPFHAOHCL-DHDCSXOGSA-N
Compound name
(5Z)-3-(3-methoxyphenyl)-5-[(4-nitrophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.06268 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.06996 179.1
[M+Na]+ 378.05190 192.2
[M+NH4]+ 373.09650 185.0
[M+K]+ 394.02584 188.3
[M-H]- 354.05540 183.5
[M+Na-2H]- 376.03735 184.9
[M]+ 355.06213 182.3
[M]- 355.06323 182.3
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.