CID 24735477

909644-98-0

Structural Information

Molecular Formula
C15H17F3N4
SMILES
C1CN(CCC1CN)C2=NC=CC3=C2C=CC(=N3)C(F)(F)F
InChI
InChI=1S/C15H17F3N4/c16-15(17,18)13-2-1-11-12(21-13)3-6-20-14(11)22-7-4-10(9-19)5-8-22/h1-3,6,10H,4-5,7-9,19H2
InChIKey
HZKOTNOIUIEDHM-UHFFFAOYSA-N
Compound name
[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.14053 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.14781 173.4
[M+Na]+ 333.12975 180.6
[M-H]- 309.13325 171.8
[M+NH4]+ 328.17435 184.3
[M+K]+ 349.10369 174.0
[M+H-H2O]+ 293.13779 160.7
[M+HCOO]- 355.13873 184.2
[M+CH3COO]- 369.15438 181.3
[M+Na-2H]- 331.11520 177.1
[M]+ 310.13998 164.4
[M]- 310.14108 164.4
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.