CID 46318374

3-(3-phenyl-1h-1,2,4-triazol-5-yl)piperidine dihydrochloride

Structural Information

Molecular Formula
C13H16N4
SMILES
C1CC(CNC1)C2=NC(=NN2)C3=CC=CC=C3
InChI
InChI=1S/C13H16N4/c1-2-5-10(6-3-1)12-15-13(17-16-12)11-7-4-8-14-9-11/h1-3,5-6,11,14H,4,7-9H2,(H,15,16,17)
InChIKey
YZRMJEUPVCOVSO-UHFFFAOYSA-N
Compound name
3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.1375 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.14478 154.3
[M+Na]+ 251.12672 166.9
[M+NH4]+ 246.17132 161.7
[M+K]+ 267.10066 161.8
[M-H]- 227.13022 157.3
[M+Na-2H]- 249.11217 162.5
[M]+ 228.13695 156.7
[M]- 228.13805 156.7
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.