CID 710521

N-benzyl-3-methoxy-n-(2-pyridinyl)benzamide

Structural Information

Molecular Formula
C20H18N2O2
SMILES
COC1=CC=CC(=C1)C(=O)N(CC2=CC=CC=C2)C3=CC=CC=N3
InChI
InChI=1S/C20H18N2O2/c1-24-18-11-7-10-17(14-18)20(23)22(19-12-5-6-13-21-19)15-16-8-3-2-4-9-16/h2-14H,15H2,1H3
InChIKey
OTFBEMDTHNFMGM-UHFFFAOYSA-N
Compound name
N-benzyl-3-methoxy-N-pyridin-2-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.13684 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.14412 175.5
[M+Na]+ 341.12606 180.7
[M-H]- 317.12956 184.6
[M+NH4]+ 336.17066 187.6
[M+K]+ 357.10000 176.9
[M+H-H2O]+ 301.13410 164.5
[M+HCOO]- 363.13504 198.8
[M+CH3COO]- 377.15069 211.4
[M+Na-2H]- 339.11151 180.7
[M]+ 318.13629 176.6
[M]- 318.13739 176.6
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.