CID 71491790

16985-05-0

Structural Information

Molecular Formula
C18H15NO2
SMILES
C1=CC=C(C(=C1)C(C2=CC=C(C=C2)O)C3=CC=CC=N3)O
InChI
InChI=1S/C18H15NO2/c20-14-10-8-13(9-11-14)18(16-6-3-4-12-19-16)15-5-1-2-7-17(15)21/h1-12,18,20-21H
InChIKey
IUAQDGAFHHTBPU-UHFFFAOYSA-N
Compound name
2-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

277.1103 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.11758 163.7
[M+Na]+ 300.09952 170.4
[M-H]- 276.10302 169.5
[M+NH4]+ 295.14412 176.3
[M+K]+ 316.07346 164.6
[M+H-H2O]+ 260.10756 154.6
[M+HCOO]- 322.10850 183.1
[M+CH3COO]- 336.12415 174.3
[M+Na-2H]- 298.08497 168.7
[M]+ 277.10975 161.2
[M]- 277.11085 161.2
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

patents stripe