CID 3046914

Piperidine, 1-(2-((1-(4-chlorophenyl)-4-phenyl-1h-pyrazol-3-yl)oxy)ethyl)-, monomethanesulfonate

Structural Information

Molecular Formula
C22H24ClN3O
SMILES
C1CCN(CC1)CCOC2=NN(C=C2C3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H24ClN3O/c23-19-9-11-20(12-10-19)26-17-21(18-7-3-1-4-8-18)22(24-26)27-16-15-25-13-5-2-6-14-25/h1,3-4,7-12,17H,2,5-6,13-16H2
InChIKey
ORLGVIZWHFLWMX-UHFFFAOYSA-N
Compound name
1-[2-[1-(4-chlorophenyl)-4-phenylpyrazol-3-yl]oxyethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.1608 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.16808 193.7
[M+Na]+ 404.15002 209.9
[M+NH4]+ 399.19462 202.0
[M+K]+ 420.12396 201.2
[M-H]- 380.15352 200.8
[M+Na-2H]- 402.13547 204.3
[M]+ 381.16025 198.5
[M]- 381.16135 198.5
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

No patent data available for this compound.