CID 6448171

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

Structural Information

Molecular Formula
C23H17N3O4
SMILES
COC1=C(C=CC(=C1)[N+](=O)[O-])N2C(=N/C(=C\C3=CC=CC=C3)/C2=O)C4=CC=CC=C4
InChI
InChI=1S/C23H17N3O4/c1-30-21-15-18(26(28)29)12-13-20(21)25-22(17-10-6-3-7-11-17)24-19(23(25)27)14-16-8-4-2-5-9-16/h2-15H,1H3/b19-14-
InChIKey
JHHZTLZRWUNLAR-RGEXLXHISA-N
Compound name
(5Z)-5-benzylidene-3-(2-methoxy-4-nitrophenyl)-2-phenylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.12192 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.12920 196.4
[M+Na]+ 422.11114 202.4
[M-H]- 398.11464 207.0
[M+NH4]+ 417.15574 204.4
[M+K]+ 438.08508 191.9
[M+H-H2O]+ 382.11918 188.8
[M+HCOO]- 444.12012 218.0
[M+CH3COO]- 458.13577 215.6
[M+Na-2H]- 420.09659 198.8
[M]+ 399.12137 194.8
[M]- 399.12247 194.8
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.