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]+ 312.19582 175.8
[M+Na]+ 334.17776 177.6
[M-H]- 310.18126 179.7
[M+NH4]+ 329.22236 188.1
[M+K]+ 350.15170 167.4
[M+H-H2O]+ 294.18580 171.1
[M+HCOO]- 356.18674 189.9
[M+CH3COO]- 370.20239 191.4
[M+Na-2H]- 332.16321 182.9
[M]+ 311.18799 167.0
[M]- 311.18909 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.