CID 15958279

Chembl210233

Structural Information

Molecular Formula
C19H16FN5O4
SMILES
CN(C1=NC(=C(C2=C1C=CC=N2)O)C(=O)NCC3=CC=C(C=C3)F)C(=O)C(=O)N
InChI
InChI=1S/C19H16FN5O4/c1-25(19(29)16(21)27)17-12-3-2-8-22-13(12)15(26)14(24-17)18(28)23-9-10-4-6-11(20)7-5-10/h2-8,26H,9H2,1H3,(H2,21,27)(H,23,28)
InChIKey
FFQXHGFOMWLFGH-UHFFFAOYSA-N
Compound name
N'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridin-5-yl]-N'-methyloxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

397.11862 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.12590 190.5
[M+Na]+ 420.10784 196.5
[M-H]- 396.11134 194.2
[M+NH4]+ 415.15244 198.2
[M+K]+ 436.08178 193.3
[M+H-H2O]+ 380.11588 179.4
[M+HCOO]- 442.11682 208.9
[M+CH3COO]- 456.13247 230.6
[M+Na-2H]- 418.09329 192.4
[M]+ 397.11807 189.6
[M]- 397.11917 189.6
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

No patent data available for this compound.