CID 3064532

1,8-naphthyridin-2(1h)-one, 1-(3-(trifluoromethyl)phenyl)-

Structural Information

Molecular Formula
C15H9F3N2O
SMILES
C1=CC(=CC(=C1)N2C(=O)C=CC3=C2N=CC=C3)C(F)(F)F
InChI
InChI=1S/C15H9F3N2O/c16-15(17,18)11-4-1-5-12(9-11)20-13(21)7-6-10-3-2-8-19-14(10)20/h1-9H
InChIKey
JYBGXMXDAGYSMQ-UHFFFAOYSA-N
Compound name
1-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

290.0667 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.07398 163.2
[M+Na]+ 313.05592 174.5
[M-H]- 289.05942 164.9
[M+NH4]+ 308.10052 177.0
[M+K]+ 329.02986 168.0
[M+H-H2O]+ 273.06396 151.5
[M+HCOO]- 335.06490 179.7
[M+CH3COO]- 349.08055 174.3
[M+Na-2H]- 311.04137 170.3
[M]+ 290.06615 160.3
[M]- 290.06725 160.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe