CID 71695443

3-(3-phenyl-1h-pyrazol-5-yl)piperidine dihydrochloride

Structural Information

Molecular Formula
C14H17N3
SMILES
C1CC(CNC1)C2=CC(=NN2)C3=CC=CC=C3
InChI
InChI=1S/C14H17N3/c1-2-5-11(6-3-1)13-9-14(17-16-13)12-7-4-8-15-10-12/h1-3,5-6,9,12,15H,4,7-8,10H2,(H,16,17)
InChIKey
QBZXVBLHBBDFGS-UHFFFAOYSA-N
Compound name
3-(3-phenyl-1H-pyrazol-5-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.14224 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.14952 152.8
[M+Na]+ 250.13146 157.7
[M-H]- 226.13496 155.0
[M+NH4]+ 245.17606 166.4
[M+K]+ 266.10540 151.6
[M+H-H2O]+ 210.13950 142.9
[M+HCOO]- 272.14044 168.1
[M+CH3COO]- 286.15609 162.3
[M+Na-2H]- 248.11691 155.8
[M]+ 227.14169 144.1
[M]- 227.14279 144.1
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.