CID 473234

(5e)-5-(3-furylmethylene)-1-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-2-phenyl-imidazol-4-one

Structural Information

Molecular Formula
C24H22N2O3
SMILES
CC1=CC(=C(C=C1N2C(=CC3=COC=C3)C(=O)N=C2C4=CC=CC=C4)C(C)C)O
InChI
InChI=1S/C24H22N2O3/c1-15(2)19-13-20(16(3)11-22(19)27)26-21(12-17-9-10-29-14-17)24(28)25-23(26)18-7-5-4-6-8-18/h4-15,27H,1-3H3
InChIKey
YJORLPKSVDRINU-UHFFFAOYSA-N
Compound name
5-(furan-3-ylmethylidene)-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

386.16306 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.17034 194.0
[M+Na]+ 409.15228 202.5
[M-H]- 385.15578 205.0
[M+NH4]+ 404.19688 204.4
[M+K]+ 425.12622 197.1
[M+H-H2O]+ 369.16032 185.0
[M+HCOO]- 431.16126 212.6
[M+CH3COO]- 445.17691 204.3
[M+Na-2H]- 407.13773 189.4
[M]+ 386.16251 195.9
[M]- 386.16361 195.9
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.