CID 449126

156336-70-8

Structural Information

Molecular Formula
C14H16ClN3
SMILES
C1CNCCC1C2=CC(=NN2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C14H16ClN3/c15-12-3-1-10(2-4-12)13-9-14(18-17-13)11-5-7-16-8-6-11/h1-4,9,11,16H,5-8H2,(H,17,18)
InChIKey
GELALLNTKKLQLM-UHFFFAOYSA-N
Compound name
4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

48
Patents

261.10327 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.11055 160.2
[M+Na]+ 284.09249 166.7
[M-H]- 260.09599 162.3
[M+NH4]+ 279.13709 173.5
[M+K]+ 300.06643 159.0
[M+H-H2O]+ 244.10053 150.5
[M+HCOO]- 306.10147 170.6
[M+CH3COO]- 320.11712 169.5
[M+Na-2H]- 282.07794 161.7
[M]+ 261.10272 153.8
[M]- 261.10382 153.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe