CID 473218

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

Structural Information

Molecular Formula
C21H22N2O2
SMILES
CC1=CC(=C(C=C1N2C(=NC(=O)C2=CC3=CC=CC=C3)C)C(C)C)O
InChI
InChI=1S/C21H22N2O2/c1-13(2)17-12-18(14(3)10-20(17)24)23-15(4)22-21(25)19(23)11-16-8-6-5-7-9-16/h5-13,24H,1-4H3
InChIKey
LAMDAJZMRGUYGY-UHFFFAOYSA-N
Compound name
5-benzylidene-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

334.16812 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.17540 181.6
[M+Na]+ 357.15734 190.6
[M-H]- 333.16084 188.4
[M+NH4]+ 352.20194 194.3
[M+K]+ 373.13128 184.1
[M+H-H2O]+ 317.16538 172.6
[M+HCOO]- 379.16632 199.9
[M+CH3COO]- 393.18197 211.7
[M+Na-2H]- 355.14279 178.7
[M]+ 334.16757 182.2
[M]- 334.16867 182.2
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.