CID 473222

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

Structural Information

Molecular Formula
C19H20N2O3
SMILES
CC1=CC(=C(C=C1N2C(=NC(=O)C2=CC3=COC=C3)C)C(C)C)O
InChI
InChI=1S/C19H20N2O3/c1-11(2)15-9-16(12(3)7-18(15)22)21-13(4)20-19(23)17(21)8-14-5-6-24-10-14/h5-11,22H,1-4H3
InChIKey
QQIGNSNGCJXLRS-UHFFFAOYSA-N
Compound name
5-(furan-3-ylmethylidene)-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

324.1474 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.15468 177.0
[M+Na]+ 347.13662 186.7
[M-H]- 323.14012 185.2
[M+NH4]+ 342.18122 190.7
[M+K]+ 363.11056 182.7
[M+H-H2O]+ 307.14466 169.7
[M+HCOO]- 369.14560 196.2
[M+CH3COO]- 383.16125 208.1
[M+Na-2H]- 345.12207 173.3
[M]+ 324.14685 180.0
[M]- 324.14795 180.0
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.