CID 9589217

3-benzylidene-1-((o-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=CC=C4[N+](=O)[O-]
InChI
InChI=1S/C23H16N4O3/c28-23-20(15-17-9-3-1-4-10-17)25-22(18-11-5-2-6-12-18)26(23)24-16-19-13-7-8-14-21(19)27(29)30/h1-16H/b20-15-,24-16+
InChIKey
URDRTLGRCRMPIO-IGRHVHCWSA-N
Compound name
(5Z)-5-benzylidene-3-[(E)-(2-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 193.7
[M+Na]+ 419.11147 209.7
[M+NH4]+ 414.15607 200.2
[M+K]+ 435.08541 204.9
[M-H]- 395.11497 202.4
[M+Na-2H]- 417.09692 204.8
[M]+ 396.12170 198.3
[M]- 396.12280 198.3
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.