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 192.8
[M+Na]+ 404.15002 198.5
[M-H]- 380.15352 200.0
[M+NH4]+ 399.19462 201.9
[M+K]+ 420.12396 190.6
[M+H-H2O]+ 364.15806 179.9
[M+HCOO]- 426.15900 204.6
[M+CH3COO]- 440.17465 200.8
[M+Na-2H]- 402.13547 192.2
[M]+ 381.16025 191.7
[M]- 381.16135 191.7
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

No patent data available for this compound.