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]+ 228.149516 152.8
[M+Na]+ 250.131458 157.7
[M-H]- 226.134964 155.0
[M+NH4]+ 245.176063 166.4
[M+K]+ 266.105398 151.6
[M+H-H2O]+ 210.139500 142.9
[M+HCOO]- 272.140441 168.1
[M+CH3COO]- 286.156091 162.3
[M+Na-2H]- 248.116906 155.8
[M]+ 227.14169142 144.1
[M]- 227.14278858 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.