CID 6448181

3,5-dihydro-3-(2-methoxy-4-nitrophenyl)-5-(naphthalenylmethylene)-2-phenyl-4h-imidazol-4-one

Structural Information

Molecular Formula
C27H19N3O4
SMILES
COC1=C(C=CC(=C1)[N+](=O)[O-])N2C(=N/C(=C\C3=CC=CC4=CC=CC=C43)/C2=O)C5=CC=CC=C5
InChI
InChI=1S/C27H19N3O4/c1-34-25-17-21(30(32)33)14-15-24(25)29-26(19-9-3-2-4-10-19)28-23(27(29)31)16-20-12-7-11-18-8-5-6-13-22(18)20/h2-17H,1H3/b23-16-
InChIKey
HYKGQGAQRCMRQB-KQWNVCNZSA-N
Compound name
(5Z)-3-(2-methoxy-4-nitrophenyl)-5-(naphthalen-1-ylmethylidene)-2-phenylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.13754 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.14482 208.5
[M+Na]+ 472.12676 226.5
[M+NH4]+ 467.17136 215.4
[M+K]+ 488.10070 221.0
[M-H]- 448.13026 217.6
[M+Na-2H]- 470.11221 218.7
[M]+ 449.13699 213.7
[M]- 449.13809 213.7
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.