CID 6483031

N-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide

Structural Information

Molecular Formula
C16H12FN3O2
SMILES
C1=CC2=CN=C(C(=C2N=C1)O)C(=O)NCC3=CC=C(C=C3)F
InChI
InChI=1S/C16H12FN3O2/c17-12-5-3-10(4-6-12)8-20-16(22)14-15(21)13-11(9-19-14)2-1-7-18-13/h1-7,9,21H,8H2,(H,20,22)
InChIKey
AGPDHYVMIWYSBH-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

13
Patents

297.09137 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.09865 166.3
[M+Na]+ 320.08059 174.8
[M-H]- 296.08409 168.9
[M+NH4]+ 315.12519 178.6
[M+K]+ 336.05453 168.9
[M+H-H2O]+ 280.08863 155.9
[M+HCOO]- 342.08957 185.0
[M+CH3COO]- 356.10522 176.6
[M+Na-2H]- 318.06604 172.7
[M]+ 297.09082 164.8
[M]- 297.09192 164.8
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