CID 473238

(5e)-1-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-5-[(4-hydroxy-3-methoxy-phenyl)methylene]-2-phenyl-imidazol-4-one

Structural Information

Molecular Formula
C27H26N2O4
SMILES
CC1=CC(=C(C=C1N2C(=CC3=CC(=C(C=C3)O)OC)C(=O)N=C2C4=CC=CC=C4)C(C)C)O
InChI
InChI=1S/C27H26N2O4/c1-16(2)20-15-21(17(3)12-24(20)31)29-22(13-18-10-11-23(30)25(14-18)33-4)27(32)28-26(29)19-8-6-5-7-9-19/h5-16,30-31H,1-4H3
InChIKey
NFWUKBUBZUKTBK-UHFFFAOYSA-N
Compound name
5-[(4-hydroxy-3-methoxyphenyl)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

442.18927 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.19655 209.7
[M+Na]+ 465.17849 217.7
[M-H]- 441.18199 218.5
[M+NH4]+ 460.22309 216.7
[M+K]+ 481.15243 210.7
[M+H-H2O]+ 425.18653 199.0
[M+HCOO]- 487.18747 225.7
[M+CH3COO]- 501.20312 230.4
[M+Na-2H]- 463.16394 204.3
[M]+ 442.18872 211.4
[M]- 442.18982 211.4
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.