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

literature stripe

Patent stripe

patents stripe