CID 9589220

4-benzylidene-1-((p-nitrobenzylidene)amino)-2-phenyl-2-imidazolin-5-one

Structural Information

Molecular Formula
C23H16N4O3
SMILES
C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=N2)C3=CC=CC=C3)/N=C/C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C23H16N4O3/c28-23-21(15-17-7-3-1-4-8-17)25-22(19-9-5-2-6-10-19)26(23)24-16-18-11-13-20(14-12-18)27(29)30/h1-16H/b21-15-,24-16+
InChIKey
SMUIRBWTUGPOKY-KKLLDSGKSA-N
Compound name
(5Z)-5-benzylidene-3-[(E)-(4-nitrophenyl)methylideneamino]-2-phenylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.12225 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.12953 195.4
[M+Na]+ 419.11147 200.6
[M-H]- 395.11497 206.8
[M+NH4]+ 414.15607 203.6
[M+K]+ 435.08541 189.6
[M+H-H2O]+ 379.11951 187.2
[M+HCOO]- 441.12045 219.5
[M+CH3COO]- 455.13610 218.2
[M+Na-2H]- 417.09692 199.5
[M]+ 396.12170 192.5
[M]- 396.12280 192.5
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.