CID 6434590

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

Structural Information

Molecular Formula
C17H13N3O4S
SMILES
COC1=CC=CC=C1/C=C\2/C(=O)N(C(=S)N2)C3=CC=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C17H13N3O4S/c1-24-15-9-5-2-6-11(15)10-12-16(21)19(17(25)18-12)13-7-3-4-8-14(13)20(22)23/h2-10H,1H3,(H,18,25)/b12-10-
InChIKey
OEZXFMVNLUGCHP-BENRWUELSA-N
Compound name
(5Z)-5-[(2-methoxyphenyl)methylidene]-3-(2-nitrophenyl)-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 181.8
[M+Na]+ 378.05190 188.8
[M-H]- 354.05540 188.3
[M+NH4]+ 373.09650 192.4
[M+K]+ 394.02584 177.8
[M+H-H2O]+ 338.05994 177.5
[M+HCOO]- 400.06088 197.1
[M+CH3COO]- 414.07653 202.1
[M+Na-2H]- 376.03735 181.9
[M]+ 355.06213 179.3
[M]- 355.06323 179.3
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.