CID 505000

3-(4-methoxy-2-pyridyl)-n-(2-naphthylmethyl)-3-oxo-n-phenyl-propanamide

Structural Information

Molecular Formula
C26H22N2O3
SMILES
COC1=CC(=NC=C1)C(=O)CC(=O)N(CC2=CC3=CC=CC=C3C=C2)C4=CC=CC=C4
InChI
InChI=1S/C26H22N2O3/c1-31-23-13-14-27-24(16-23)25(29)17-26(30)28(22-9-3-2-4-10-22)18-19-11-12-20-7-5-6-8-21(20)15-19/h2-16H,17-18H2,1H3
InChIKey
QNOIANPPOVHREK-UHFFFAOYSA-N
Compound name
3-(4-methoxypyridin-2-yl)-N-(naphthalen-2-ylmethyl)-3-oxo-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.16306 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.17034 200.1
[M+Na]+ 433.15228 204.2
[M-H]- 409.15578 209.4
[M+NH4]+ 428.19688 208.8
[M+K]+ 449.12622 199.6
[M+H-H2O]+ 393.16032 187.8
[M+HCOO]- 455.16126 219.9
[M+CH3COO]- 469.17691 230.2
[M+Na-2H]- 431.13773 203.4
[M]+ 410.16251 202.0
[M]- 410.16361 202.0
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.