CID 492590

Chembl35248

Structural Information

Molecular Formula
C17H14FN3O2
SMILES
COC1=CC=CC=C1CNC(=O)C2=NC3=C(C=C2)C(=NC=C3)F
InChI
InChI=1S/C17H14FN3O2/c1-23-15-5-3-2-4-11(15)10-20-17(22)14-7-6-12-13(21-14)8-9-19-16(12)18/h2-9H,10H2,1H3,(H,20,22)
InChIKey
SMLAUIVKJMXZTP-UHFFFAOYSA-N
Compound name
5-fluoro-N-[(2-methoxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

311.107 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.11428 170.9
[M+Na]+ 334.09622 179.4
[M-H]- 310.09972 174.7
[M+NH4]+ 329.14082 183.4
[M+K]+ 350.07016 174.1
[M+H-H2O]+ 294.10426 159.9
[M+HCOO]- 356.10520 190.8
[M+CH3COO]- 370.12085 208.6
[M+Na-2H]- 332.08167 177.2
[M]+ 311.10645 171.6
[M]- 311.10755 171.6
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.