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]+ 364.20195 188.1
[M+Na]+ 386.18389 192.4
[M-H]- 362.18739 194.5
[M+NH4]+ 381.22849 196.3
[M+K]+ 402.15783 185.9
[M+H-H2O]+ 346.19193 175.6
[M+HCOO]- 408.19287 203.4
[M+CH3COO]- 422.20852 195.9
[M+Na-2H]- 384.16934 188.0
[M]+ 363.19412 184.5
[M]- 363.19522 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.