CID 3047030

Piperidine, 1-(3-((1,4-diphenyl-1h-pyrazol-3-yl)oxy)propyl)-, monomethanesulfonate

Structural Information

Molecular Formula
C23H27N3O
SMILES
C1CCN(CC1)CCCOC2=NN(C=C2C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H27N3O/c1-4-11-20(12-5-1)22-19-26(21-13-6-2-7-14-21)24-23(22)27-18-10-17-25-15-8-3-9-16-25/h1-2,4-7,11-14,19H,3,8-10,15-18H2
InChIKey
FGGFHZKFQYWUGH-UHFFFAOYSA-N
Compound name
1-[3-(1,4-diphenylpyrazol-3-yl)oxypropyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.21542 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.22270 191.8
[M+Na]+ 384.20464 206.6
[M+NH4]+ 379.24924 199.7
[M+K]+ 400.17858 198.4
[M-H]- 360.20814 198.7
[M+Na-2H]- 382.19009 202.3
[M]+ 361.21487 195.9
[M]- 361.21597 195.9
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.