CID 54715429

138304-97-9

Structural Information

Molecular Formula
C21H14N4O5
SMILES
C1=CC=C(C=C1)N2C3=C(C=CC=N3)C(=C(C2=O)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-])O
InChI
InChI=1S/C21H14N4O5/c26-18-16-10-5-11-22-19(16)24(14-7-2-1-3-8-14)21(28)17(18)20(27)23-13-6-4-9-15(12-13)25(29)30/h1-12,26H,(H,23,27)
InChIKey
LZGFOOCVBLVEFU-UHFFFAOYSA-N
Compound name
4-hydroxy-N-(3-nitrophenyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

402.0964 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.10368 189.9
[M+Na]+ 425.08562 195.9
[M-H]- 401.08912 197.1
[M+NH4]+ 420.13022 196.0
[M+K]+ 441.05956 186.2
[M+H-H2O]+ 385.09366 182.5
[M+HCOO]- 447.09460 209.8
[M+CH3COO]- 461.11025 217.2
[M+Na-2H]- 423.07107 197.8
[M]+ 402.09585 188.2
[M]- 402.09695 188.2
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