CID 54684618

138304-91-3

Structural Information

Molecular Formula
C20H14N4O3
SMILES
C1=CC=C(C=C1)N2C3=C(C=CC=N3)C(=C(C2=O)C(=O)NC4=CC=NC=C4)O
InChI
InChI=1S/C20H14N4O3/c25-17-15-7-4-10-22-18(15)24(14-5-2-1-3-6-14)20(27)16(17)19(26)23-13-8-11-21-12-9-13/h1-12,25H,(H,21,23,26)
InChIKey
KSVDSNPHTLVWPO-UHFFFAOYSA-N
Compound name
4-hydroxy-2-oxo-1-phenyl-N-pyridin-4-yl-1,8-naphthyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

358.1066 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.11388 183.8
[M+Na]+ 381.09582 192.5
[M-H]- 357.09932 189.7
[M+NH4]+ 376.14042 191.6
[M+K]+ 397.06976 185.5
[M+H-H2O]+ 341.10386 171.9
[M+HCOO]- 403.10480 202.1
[M+CH3COO]- 417.12045 193.0
[M+Na-2H]- 379.08127 190.6
[M]+ 358.10605 183.4
[M]- 358.10715 183.4
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