CID 42634112

Chembl230345

Structural Information

Molecular Formula
C24H23NO2
SMILES
C=CCC1=C(C=CC(=C1)C(C2=CC(=C(C=C2)O)CC=C)C3=CC=CC=N3)O
InChI
InChI=1S/C24H23NO2/c1-3-7-17-15-19(10-12-22(17)26)24(21-9-5-6-14-25-21)20-11-13-23(27)18(16-20)8-4-2/h3-6,9-16,24,26-27H,1-2,7-8H2
InChIKey
JQMPPJVXAHTUKE-UHFFFAOYSA-N
Compound name
4-[(4-hydroxy-3-prop-2-enylphenyl)-pyridin-2-ylmethyl]-2-prop-2-enylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

357.17288 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.18016 188.9
[M+Na]+ 380.16210 195.2
[M-H]- 356.16560 194.3
[M+NH4]+ 375.20670 198.5
[M+K]+ 396.13604 187.1
[M+H-H2O]+ 340.17014 178.9
[M+HCOO]- 402.17108 206.4
[M+CH3COO]- 416.18673 213.7
[M+Na-2H]- 378.14755 189.0
[M]+ 357.17233 187.8
[M]- 357.17343 187.8
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.