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]+ 318.148846 176.4
[M+Na]+ 340.130788 181.8
[M-H]- 316.134294 183.8
[M+NH4]+ 335.175393 188.1
[M+K]+ 356.104728 176.4
[M+H-H2O]+ 300.138830 165.6
[M+HCOO]- 362.139771 197.7
[M+CH3COO]- 376.155421 206.8
[M+Na-2H]- 338.116236 181.1
[M]+ 317.14102142 177.2
[M]- 317.14211858 177.2
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

No patent data available for this compound.