CID 473231

(5e)-5-benzylidene-1-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-2-phenyl-imidazol-4-one

Structural Information

Molecular Formula
C26H24N2O2
SMILES
CC1=CC(=C(C=C1N2C(=CC3=CC=CC=C3)C(=O)N=C2C4=CC=CC=C4)C(C)C)O
InChI
InChI=1S/C26H24N2O2/c1-17(2)21-16-22(18(3)14-24(21)29)28-23(15-19-10-6-4-7-11-19)26(30)27-25(28)20-12-8-5-9-13-20/h4-17,29H,1-3H3
InChIKey
IJZARYLECOQLRG-UHFFFAOYSA-N
Compound name
5-benzylidene-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

396.18378 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.19106 199.2
[M+Na]+ 419.17300 207.0
[M-H]- 395.17650 208.7
[M+NH4]+ 414.21760 208.5
[M+K]+ 435.14694 199.0
[M+H-H2O]+ 379.18104 188.2
[M+HCOO]- 441.18198 216.8
[M+CH3COO]- 455.19763 208.3
[M+Na-2H]- 417.15845 195.8
[M]+ 396.18323 198.6
[M]- 396.18433 198.6
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.