CID 54715430

138305-05-2

Structural Information

Molecular Formula
C22H17N3O4
SMILES
COC1=CC=CC=C1NC(=O)C2=C(C3=C(N=CC=C3)N(C2=O)C4=CC=CC=C4)O
InChI
InChI=1S/C22H17N3O4/c1-29-17-12-6-5-11-16(17)24-21(27)18-19(26)15-10-7-13-23-20(15)25(22(18)28)14-8-3-2-4-9-14/h2-13,26H,1H3,(H,24,27)
InChIKey
NRBFECMCSGEVFI-UHFFFAOYSA-N
Compound name
4-hydroxy-N-(2-methoxyphenyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

387.12192 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.12920 191.5
[M+Na]+ 410.11114 199.8
[M-H]- 386.11464 198.8
[M+NH4]+ 405.15574 199.6
[M+K]+ 426.08508 193.9
[M+H-H2O]+ 370.11918 179.8
[M+HCOO]- 432.12012 210.6
[M+CH3COO]- 446.13577 200.7
[M+Na-2H]- 408.09659 196.4
[M]+ 387.12137 193.1
[M]- 387.12247 193.1
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