CID 129318895

Pridinol n-oxide

Structural Information

Molecular Formula
C20H25NO2
SMILES
C1CC[N+](CC1)(CCC(C2=CC=CC=C2)(C3=CC=CC=C3)O)[O-]
InChI
InChI=1S/C20H25NO2/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21(23)15-8-3-9-16-21/h1-2,4-7,10-13,22H,3,8-9,14-17H2
InChIKey
MMMIAISRGMTOFM-UHFFFAOYSA-N
Compound name
3-(1-oxidopiperidin-1-ium-1-yl)-1,1-diphenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.18854 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.195816 175.8
[M+Na]+ 334.177758 177.6
[M-H]- 310.181264 179.7
[M+NH4]+ 329.222363 188.1
[M+K]+ 350.151698 167.4
[M+H-H2O]+ 294.185800 171.1
[M+HCOO]- 356.186741 189.9
[M+CH3COO]- 370.202391 191.4
[M+Na-2H]- 332.163206 182.9
[M]+ 311.18799142 167.0
[M]- 311.18908858 167.0
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.