CID 9589182

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

Structural Information

Molecular Formula
C23H15N5O5
SMILES
C1=CC=C(C=C1)C2=N/C(=C\C3=CC=C(C=C3)[N+](=O)[O-])/C(=O)N2/N=C/C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C23H15N5O5/c29-23-21(14-16-6-10-19(11-7-16)27(30)31)25-22(18-4-2-1-3-5-18)26(23)24-15-17-8-12-20(13-9-17)28(32)33/h1-15H/b21-14-,24-15+
InChIKey
ZXNBZIHIXANWLF-GYTCFKOFSA-N
Compound name
(5Z)-5-[(4-nitrophenyl)methylidene]-3-[(E)-(4-nitrophenyl)methylideneamino]-2-phenylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.10733 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.11461 204.3
[M+Na]+ 464.09655 219.4
[M+NH4]+ 459.14115 209.3
[M+K]+ 480.07049 218.2
[M-H]- 440.10005 213.3
[M+Na-2H]- 462.08200 213.5
[M]+ 441.10678 208.6
[M]- 441.10788 208.6
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.