CID 473237

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

Structural Information

Molecular Formula
C27H26N2O3
SMILES
CC1=CC(=C(C=C1N2C(=CC3=CC=C(C=C3)OC)C(=O)N=C2C4=CC=CC=C4)C(C)C)O
InChI
InChI=1S/C27H26N2O3/c1-17(2)22-16-23(18(3)14-25(22)30)29-24(15-19-10-12-21(32-4)13-11-19)27(31)28-26(29)20-8-6-5-7-9-20/h5-17,30H,1-4H3
InChIKey
XRWKKMKXGIAXIL-UHFFFAOYSA-N
Compound name
1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.19434 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.20162 206.7
[M+Na]+ 449.18356 214.6
[M-H]- 425.18706 216.4
[M+NH4]+ 444.22816 214.8
[M+K]+ 465.15750 207.3
[M+H-H2O]+ 409.19160 195.6
[M+HCOO]- 471.19254 224.0
[M+CH3COO]- 485.20819 229.0
[M+Na-2H]- 447.16901 202.1
[M]+ 426.19379 208.2
[M]- 426.19489 208.2
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.