CID 3070777

86871-46-7

Structural Information

Molecular Formula
C17H22ClN3O
SMILES
C1CCN(CC1)CCCOC2=NNC(=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H22ClN3O/c18-15-7-5-14(6-8-15)16-13-17(20-19-16)22-12-4-11-21-9-2-1-3-10-21/h5-8,13H,1-4,9-12H2,(H,19,20)
InChIKey
IJKMZKAORXPIKH-UHFFFAOYSA-N
Compound name
1-[3-[[5-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy]propyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

319.14514 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.15242 176.5
[M+Na]+ 342.13436 189.9
[M+NH4]+ 337.17896 184.2
[M+K]+ 358.10830 183.0
[M-H]- 318.13786 180.4
[M+Na-2H]- 340.11981 184.1
[M]+ 319.14459 179.7
[M]- 319.14569 179.7
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

patents stripe