CID 24735081

N-(piperidin-4-ylmethyl)-2-(trifluoromethyl)-1,6-naphthyridin-5-amine hydrochloride hydrate

Structural Information

Molecular Formula
C15H17F3N4
SMILES
C1CNCCC1CNC2=NC=CC3=C2C=CC(=N3)C(F)(F)F
InChI
InChI=1S/C15H17F3N4/c16-15(17,18)13-2-1-11-12(22-13)5-8-20-14(11)21-9-10-3-6-19-7-4-10/h1-2,5,8,10,19H,3-4,6-7,9H2,(H,20,21)
InChIKey
TVQSVTIEOOUQKL-UHFFFAOYSA-N
Compound name
N-(piperidin-4-ylmethyl)-2-(trifluoromethyl)-1,6-naphthyridin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.14053 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.14781 167.8
[M+Na]+ 333.12975 176.6
[M+NH4]+ 328.17435 172.7
[M+K]+ 349.10369 170.8
[M-H]- 309.13325 166.1
[M+Na-2H]- 331.11520 172.4
[M]+ 310.13998 168.1
[M]- 310.14108 168.1
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

No patent data available for this compound.