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 175.9
[M+Na]+ 342.13436 181.2
[M-H]- 318.13786 178.7
[M+NH4]+ 337.17896 187.3
[M+K]+ 358.10830 174.3
[M+H-H2O]+ 302.14240 165.0
[M+HCOO]- 364.14334 186.8
[M+CH3COO]- 378.15899 184.3
[M+Na-2H]- 340.11981 176.2
[M]+ 319.14459 173.5
[M]- 319.14569 173.5
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