CID 473223

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

Structural Information

Molecular Formula
C21H22N2O3
SMILES
CC1=CC(=C(C=C1N2C(=NC(=O)C2=CC3=CC=CC=C3O)C)C(C)C)O
InChI
InChI=1S/C21H22N2O3/c1-12(2)16-11-17(13(3)9-20(16)25)23-14(4)22-21(26)18(23)10-15-7-5-6-8-19(15)24/h5-12,24-25H,1-4H3
InChIKey
PKSCNTKYTSVJKI-UHFFFAOYSA-N
Compound name
1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-5-[(2-hydroxyphenyl)methylidene]-2-methylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.16306 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.17034 185.0
[M+Na]+ 373.15228 194.2
[M-H]- 349.15578 190.9
[M+NH4]+ 368.19688 196.5
[M+K]+ 389.12622 187.8
[M+H-H2O]+ 333.16032 176.4
[M+HCOO]- 395.16126 201.9
[M+CH3COO]- 409.17691 213.0
[M+Na-2H]- 371.13773 181.1
[M]+ 350.16251 185.7
[M]- 350.16361 185.7
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.