CID 483319

Chembl96470

Structural Information

Molecular Formula
C17H12F3N3O2
SMILES
C1=CC=C(C(=C1)CNC(=O)C2=NC3=C(C=C2)C=NC=C3)OC(F)(F)F
InChI
InChI=1S/C17H12F3N3O2/c18-17(19,20)25-15-4-2-1-3-12(15)10-22-16(24)14-6-5-11-9-21-8-7-13(11)23-14/h1-9H,10H2,(H,22,24)
InChIKey
WNCQJEHCYYPWKQ-UHFFFAOYSA-N
Compound name
N-[[2-(trifluoromethoxy)phenyl]methyl]-1,6-naphthyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

347.08817 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.09545 177.5
[M+Na]+ 370.07739 185.6
[M-H]- 346.08089 178.4
[M+NH4]+ 365.12199 188.1
[M+K]+ 386.05133 179.8
[M+H-H2O]+ 330.08543 164.9
[M+HCOO]- 392.08637 193.5
[M+CH3COO]- 406.10202 212.5
[M+Na-2H]- 368.06284 184.1
[M]+ 347.08762 174.9
[M]- 347.08872 174.9
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.