CID 5399735

5-((3-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(=CC=C3)[N+](=O)[O-])/NC2=S
InChI
InChI=1S/C16H11N3O3S/c20-15-14(10-11-5-4-8-13(9-11)19(21)22)17-16(23)18(15)12-6-2-1-3-7-12/h1-10H,(H,17,23)/b14-10-
InChIKey
FPILVAHOEJISCY-UVTDQMKNSA-N
Compound name
(5Z)-5-[(3-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 174.1
[M+Na]+ 348.04134 181.1
[M-H]- 324.04484 180.5
[M+NH4]+ 343.08594 185.9
[M+K]+ 364.01528 169.8
[M+H-H2O]+ 308.04938 170.0
[M+HCOO]- 370.05032 189.7
[M+CH3COO]- 384.06597 195.7
[M+Na-2H]- 346.02679 175.0
[M]+ 325.05157 169.6
[M]- 325.05267 169.6
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.