CID 473235

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

Structural Information

Molecular Formula
C26H24N2O3
SMILES
CC1=CC(=C(C=C1N2C(=CC3=CC=CC=C3O)C(=O)N=C2C4=CC=CC=C4)C(C)C)O
InChI
InChI=1S/C26H24N2O3/c1-16(2)20-15-21(17(3)13-24(20)30)28-22(14-19-11-7-8-12-23(19)29)26(31)27-25(28)18-9-5-4-6-10-18/h4-16,29-30H,1-3H3
InChIKey
PTGMZDYLYXDRPN-UHFFFAOYSA-N
Compound name
1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-5-[(2-hydroxyphenyl)methylidene]-2-phenylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.17868 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.18596 202.4
[M+Na]+ 435.16790 210.3
[M-H]- 411.17140 211.0
[M+NH4]+ 430.21250 210.5
[M+K]+ 451.14184 202.6
[M+H-H2O]+ 395.17594 191.9
[M+HCOO]- 457.17688 218.7
[M+CH3COO]- 471.19253 211.0
[M+Na-2H]- 433.15335 198.1
[M]+ 412.17813 202.0
[M]- 412.17923 202.0
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.