CID 11609183

Chembl199967

Structural Information

Molecular Formula
C19H16N2O2
SMILES
C1=CC=C(C=C1)COC2=C(N=CC=C2)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H16N2O2/c22-19(16-10-5-2-6-11-16)21-18-17(12-7-13-20-18)23-14-15-8-3-1-4-9-15/h1-13H,14H2,(H,20,21,22)
InChIKey
WSHXFPZAFRSJSR-UHFFFAOYSA-N
Compound name
N-(3-phenylmethoxypyridin-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.1212 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.12848 170.6
[M+Na]+ 327.11042 176.2
[M-H]- 303.11392 178.5
[M+NH4]+ 322.15502 182.7
[M+K]+ 343.08436 171.2
[M+H-H2O]+ 287.11846 160.1
[M+HCOO]- 349.11940 193.8
[M+CH3COO]- 363.13505 181.2
[M+Na-2H]- 325.09587 177.1
[M]+ 304.12065 170.1
[M]- 304.12175 170.1
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

No patent data available for this compound.