CID 54715434

4-hydroxy-2-oxo-1-phenyl-n-(3-pyridylmethyl)-1h-1,8-naphthyridine-3-carboxamide

Structural Information

Molecular Formula
C21H16N4O3
SMILES
C1=CC=C(C=C1)N2C3=C(C=CC=N3)C(=C(C2=O)C(=O)NCC4=CN=CC=C4)O
InChI
InChI=1S/C21H16N4O3/c26-18-16-9-5-11-23-19(16)25(15-7-2-1-3-8-15)21(28)17(18)20(27)24-13-14-6-4-10-22-12-14/h1-12,26H,13H2,(H,24,27)
InChIKey
CLVGXTZOXSABFR-UHFFFAOYSA-N
Compound name
4-hydroxy-2-oxo-1-phenyl-N-(pyridin-3-ylmethyl)-1,8-naphthyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

372.12225 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.12953 188.2
[M+Na]+ 395.11147 196.3
[M-H]- 371.11497 193.8
[M+NH4]+ 390.15607 195.3
[M+K]+ 411.08541 189.2
[M+H-H2O]+ 355.11951 176.0
[M+HCOO]- 417.12045 206.1
[M+CH3COO]- 431.13610 196.9
[M+Na-2H]- 393.09692 194.4
[M]+ 372.12170 188.0
[M]- 372.12280 188.0
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

patents stripe