CID 21149831

Phenylbenzyl-(3-pyridyl)-carbinol hydrochloride

Structural Information

Molecular Formula
C19H17NO
SMILES
C1=CC=C(C=C1)CC(C2=CC=CC=C2)(C3=CN=CC=C3)O
InChI
InChI=1S/C19H17NO/c21-19(17-10-5-2-6-11-17,18-12-7-13-20-15-18)14-16-8-3-1-4-9-16/h1-13,15,21H,14H2
InChIKey
ZOYHSJCQCSHSDN-UHFFFAOYSA-N
Compound name
1,2-diphenyl-1-pyridin-3-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.131 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.13828 164.9
[M+Na]+ 298.12022 170.6
[M-H]- 274.12372 171.3
[M+NH4]+ 293.16482 177.9
[M+K]+ 314.09416 164.6
[M+H-H2O]+ 258.12826 155.6
[M+HCOO]- 320.12920 184.5
[M+CH3COO]- 334.14485 175.4
[M+Na-2H]- 296.10567 173.1
[M]+ 275.13045 162.4
[M]- 275.13155 162.4
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