CID 505009

N-(2-naphthylmethyl)-3-oxo-n-phenyl-3-(2-pyridyl)propanamide

Structural Information

Molecular Formula
C25H20N2O2
SMILES
C1=CC=C(C=C1)N(CC2=CC3=CC=CC=C3C=C2)C(=O)CC(=O)C4=CC=CC=N4
InChI
InChI=1S/C25H20N2O2/c28-24(23-12-6-7-15-26-23)17-25(29)27(22-10-2-1-3-11-22)18-19-13-14-20-8-4-5-9-21(20)16-19/h1-16H,17-18H2
InChIKey
YVHXDGBSIJMXGL-UHFFFAOYSA-N
Compound name
N-(naphthalen-2-ylmethyl)-3-oxo-N-phenyl-3-pyridin-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.15247 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.15975 192.2
[M+Na]+ 403.14169 196.1
[M-H]- 379.14519 201.3
[M+NH4]+ 398.18629 202.0
[M+K]+ 419.11563 190.7
[M+H-H2O]+ 363.14973 180.2
[M+HCOO]- 425.15067 212.3
[M+CH3COO]- 439.16632 200.9
[M+Na-2H]- 401.12714 196.7
[M]+ 380.15192 192.0
[M]- 380.15302 192.0
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.