CID 6480788

5-(benzyloxy)-1-methyl-4-oxo-n-(pyridin-3-yl)-1,4-dihydropyridine-2-carboxamide

Structural Information

Molecular Formula
C19H17N3O3
SMILES
CN1C=C(C(=O)C=C1C(=O)NC2=CN=CC=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C19H17N3O3/c1-22-12-18(25-13-14-6-3-2-4-7-14)17(23)10-16(22)19(24)21-15-8-5-9-20-11-15/h2-12H,13H2,1H3,(H,21,24)
InChIKey
XZBORUKXNANDAJ-UHFFFAOYSA-N
Compound name
1-methyl-4-oxo-5-phenylmethoxy-N-pyridin-3-ylpyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.12698 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.13426 178.4
[M+Na]+ 358.11620 185.8
[M-H]- 334.11970 185.6
[M+NH4]+ 353.16080 188.3
[M+K]+ 374.09014 180.7
[M+H-H2O]+ 318.12424 167.0
[M+HCOO]- 380.12518 200.4
[M+CH3COO]- 394.14083 211.7
[M+Na-2H]- 356.10165 183.5
[M]+ 335.12643 179.9
[M]- 335.12753 179.9
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.