CID 3047010

4-piperidinol, 1-(2-((1,4-diphenyl-1h-pyrazol-3-yl)oxy)ethyl)-, monomethanesulfonate (salt)

Structural Information

Molecular Formula
C22H25N3O2
SMILES
C1CN(CCC1O)CCOC2=NN(C=C2C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H25N3O2/c26-20-11-13-24(14-12-20)15-16-27-22-21(18-7-3-1-4-8-18)17-25(23-22)19-9-5-2-6-10-19/h1-10,17,20,26H,11-16H2
InChIKey
FTBRCEUJYHCOFM-UHFFFAOYSA-N
Compound name
1-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.19467 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.201946 188.1
[M+Na]+ 386.183888 192.4
[M-H]- 362.187394 194.5
[M+NH4]+ 381.228493 196.3
[M+K]+ 402.157828 185.9
[M+H-H2O]+ 346.191930 175.6
[M+HCOO]- 408.192871 203.4
[M+CH3COO]- 422.208521 195.9
[M+Na-2H]- 384.169336 188.0
[M]+ 363.19412142 184.5
[M]- 363.19521858 184.5
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.