CID 473232

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

Structural Information

Molecular Formula
C26H23ClN2O2
SMILES
CC1=CC(=C(C=C1N2C(=CC3=CC=CC=C3Cl)C(=O)N=C2C4=CC=CC=C4)C(C)C)O
InChI
InChI=1S/C26H23ClN2O2/c1-16(2)20-15-22(17(3)13-24(20)30)29-23(14-19-11-7-8-12-21(19)27)26(31)28-25(29)18-9-5-4-6-10-18/h4-16,30H,1-3H3
InChIKey
YORMTPRAJLXGKL-UHFFFAOYSA-N
Compound name
5-[(2-chlorophenyl)methylidene]-1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-phenylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.1448 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.15208 206.6
[M+Na]+ 453.13402 216.0
[M-H]- 429.13752 216.1
[M+NH4]+ 448.17862 215.7
[M+K]+ 469.10796 206.8
[M+H-H2O]+ 413.14206 196.0
[M+HCOO]- 475.14300 219.5
[M+CH3COO]- 489.15865 215.5
[M+Na-2H]- 451.11947 201.9
[M]+ 430.14425 208.9
[M]- 430.14535 208.9
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.