CID 79719697

3-(5-fluoropyridin-2-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole dihydrochloride

Structural Information

Molecular Formula
C13H15FN4O
SMILES
C1CNCCC1CC2=NC(=NO2)C3=NC=C(C=C3)F
InChI
InChI=1S/C13H15FN4O/c14-10-1-2-11(16-8-10)13-17-12(19-18-13)7-9-3-5-15-6-4-9/h1-2,8-9,15H,3-7H2
InChIKey
ANNDLGVQKBTQPS-UHFFFAOYSA-N
Compound name
3-(5-fluoropyridin-2-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.123 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.13028 159.4
[M+Na]+ 285.11222 166.2
[M-H]- 261.11572 161.1
[M+NH4]+ 280.15682 169.6
[M+K]+ 301.08616 161.8
[M+H-H2O]+ 245.12026 147.6
[M+HCOO]- 307.12120 173.1
[M+CH3COO]- 321.13685 168.8
[M+Na-2H]- 283.09767 162.0
[M]+ 262.12245 153.9
[M]- 262.12355 153.9
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.