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 171.3
[M+Na]+ 333.12975 177.1
[M-H]- 309.13325 168.5
[M+NH4]+ 328.17435 181.5
[M+K]+ 349.10369 170.1
[M+H-H2O]+ 293.13779 158.7
[M+HCOO]- 355.13873 181.4
[M+CH3COO]- 369.15438 178.5
[M+Na-2H]- 331.11520 176.5
[M]+ 310.13998 161.2
[M]- 310.14108 161.2
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.