CID 6434587

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

Structural Information

Molecular Formula
C17H13N3O3S
SMILES
CC1=CC=CC=C1/C=C\2/C(=O)N(C(=S)N2)C3=CC=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C17H13N3O3S/c1-11-6-2-3-7-12(11)10-13-16(21)19(17(24)18-13)14-8-4-5-9-15(14)20(22)23/h2-10H,1H3,(H,18,24)/b13-10-
InChIKey
KIZYSMWXAQSBGN-RAXLEYEMSA-N
Compound name
(5Z)-5-[(2-methylphenyl)methylidene]-3-(2-nitrophenyl)-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.06775 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.07503 176.0
[M+Na]+ 362.05697 189.6
[M+NH4]+ 357.10157 182.5
[M+K]+ 378.03091 185.1
[M-H]- 338.06047 180.9
[M+Na-2H]- 360.04242 182.2
[M]+ 339.06720 179.5
[M]- 339.06830 179.5
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.