CID 5337706

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

Structural Information

Molecular Formula
C16H11N3O3S
SMILES
C1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=C(C=C3)[N+](=O)[O-])/NC2=S
InChI
InChI=1S/C16H11N3O3S/c20-15-14(10-11-6-8-13(9-7-11)19(21)22)17-16(23)18(15)12-4-2-1-3-5-12/h1-10H,(H,17,23)/b14-10-
InChIKey
OTKRVOXOPIJRAY-UVTDQMKNSA-N
Compound name
(5Z)-5-[(4-nitrophenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.05212 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.05940 171.0
[M+Na]+ 348.04134 184.4
[M+NH4]+ 343.08594 177.6
[M+K]+ 364.01528 180.0
[M-H]- 324.04484 175.8
[M+Na-2H]- 346.02679 177.7
[M]+ 325.05157 174.4
[M]- 325.05267 174.4
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.