CID 24734945

N-piperidin-4-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine hydrochloride monohydrate

Structural Information

Molecular Formula
C14H15F3N4
SMILES
C1CNCCC1NC2=NC=CC3=C2C=CC(=N3)C(F)(F)F
InChI
InChI=1S/C14H15F3N4/c15-14(16,17)12-2-1-10-11(21-12)5-8-19-13(10)20-9-3-6-18-7-4-9/h1-2,5,8-9,18H,3-4,6-7H2,(H,19,20)
InChIKey
ZXLGFCFXKSSPSR-UHFFFAOYSA-N
Compound name
N-piperidin-4-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

296.12488 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.13216 166.9
[M+Na]+ 319.11410 173.2
[M-H]- 295.11760 164.3
[M+NH4]+ 314.15870 177.7
[M+K]+ 335.08804 166.4
[M+H-H2O]+ 279.12214 154.5
[M+HCOO]- 341.12308 177.3
[M+CH3COO]- 355.13873 174.6
[M+Na-2H]- 317.09955 172.7
[M]+ 296.12433 156.5
[M]- 296.12543 156.5
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