CID 6446560

4-imidazolidinone, 3-(4-ethoxyphenyl)-5-((3-nitrophenyl)methylene)-2-thioxo-

Structural Information

Molecular Formula
C18H15N3O4S
SMILES
CCOC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=CC=C3)[N+](=O)[O-])/NC2=S
InChI
InChI=1S/C18H15N3O4S/c1-2-25-15-8-6-13(7-9-15)20-17(22)16(19-18(20)26)11-12-4-3-5-14(10-12)21(23)24/h3-11H,2H2,1H3,(H,19,26)/b16-11-
InChIKey
FSYAVKUBRAKGJT-WJDWOHSUSA-N
Compound name
(5Z)-3-(4-ethoxyphenyl)-5-[(3-nitrophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.07834 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.085616 186.2
[M+Na]+ 392.067558 192.7
[M-H]- 368.071064 192.5
[M+NH4]+ 387.112163 196.2
[M+K]+ 408.041498 181.5
[M+H-H2O]+ 352.075600 181.7
[M+HCOO]- 414.076541 201.1
[M+CH3COO]- 428.092191 205.0
[M+Na-2H]- 390.053006 185.8
[M]+ 369.07779142 184.0
[M]- 369.07888858 184.0
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.