CID 473226

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

Structural Information

Molecular Formula
C22H24N2O4
SMILES
CC1=CC(=C(C=C1N2C(=NC(=O)C2=CC3=CC(=C(C=C3)O)OC)C)C(C)C)O
InChI
InChI=1S/C22H24N2O4/c1-12(2)16-11-17(13(3)8-20(16)26)24-14(4)23-22(27)18(24)9-15-6-7-19(25)21(10-15)28-5/h6-12,25-26H,1-5H3
InChIKey
WQVFGIWPKARWGT-UHFFFAOYSA-N
Compound name
5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-methylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.1736 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.18088 192.1
[M+Na]+ 403.16282 201.4
[M-H]- 379.16632 198.2
[M+NH4]+ 398.20742 202.5
[M+K]+ 419.13676 195.6
[M+H-H2O]+ 363.17086 183.4
[M+HCOO]- 425.17180 208.8
[M+CH3COO]- 439.18745 219.5
[M+Na-2H]- 401.14827 187.2
[M]+ 380.17305 194.9
[M]- 380.17415 194.9
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.