CID 473239

(5e)-1-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-5-[(2-nitrophenyl)methylene]-2-phenyl-imidazol-4-one

Structural Information

Molecular Formula
C26H23N3O4
SMILES
CC1=CC(=C(C=C1N2C(=CC3=CC=CC=C3[N+](=O)[O-])C(=O)N=C2C4=CC=CC=C4)C(C)C)O
InChI
InChI=1S/C26H23N3O4/c1-16(2)20-15-22(17(3)13-24(20)30)28-23(14-19-11-7-8-12-21(19)29(32)33)26(31)27-25(28)18-9-5-4-6-10-18/h4-16,30H,1-3H3
InChIKey
REFAPHPZRQEJSM-UHFFFAOYSA-N
Compound name
1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-5-[(2-nitrophenyl)methylidene]-2-phenylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.16885 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.17613 208.7
[M+Na]+ 464.15807 214.3
[M-H]- 440.16157 218.4
[M+NH4]+ 459.20267 214.8
[M+K]+ 480.13201 203.3
[M+H-H2O]+ 424.16611 201.8
[M+HCOO]- 486.16705 226.9
[M+CH3COO]- 500.18270 225.2
[M+Na-2H]- 462.14352 207.1
[M]+ 441.16830 206.8
[M]- 441.16940 206.8
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.