CID 82185239

3-[2-(benzyloxy)phenyl]-1-(pyridin-2-yl)propan-1-one

Structural Information

Molecular Formula
C21H19NO2
SMILES
C1=CC=C(C=C1)COC2=CC=CC=C2CCC(=O)C3=CC=CC=N3
InChI
InChI=1S/C21H19NO2/c23-20(19-11-6-7-15-22-19)14-13-18-10-4-5-12-21(18)24-16-17-8-2-1-3-9-17/h1-12,15H,13-14,16H2
InChIKey
ILXSHSPVDIDVOR-UHFFFAOYSA-N
Compound name
3-(2-phenylmethoxyphenyl)-1-pyridin-2-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.14157 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.14885 177.2
[M+Na]+ 340.13079 193.6
[M+NH4]+ 335.17539 185.5
[M+K]+ 356.10473 183.8
[M-H]- 316.13429 183.7
[M+Na-2H]- 338.11624 189.1
[M]+ 317.14102 181.6
[M]- 317.14212 181.6
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.