CID 121596456

Diphenylpyraline n-oxide

Structural Information

Molecular Formula
C19H23NO2
SMILES
C[N+]1(CCC(CC1)OC(C2=CC=CC=C2)C3=CC=CC=C3)[O-]
InChI
InChI=1S/C19H23NO2/c1-20(21)14-12-18(13-15-20)22-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3
InChIKey
CMUVTOXFOVYLRQ-UHFFFAOYSA-N
Compound name
4-benzhydryloxy-1-methyl-1-oxidopiperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.17288 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.18016 172.3
[M+Na]+ 320.16210 188.0
[M+NH4]+ 315.20670 183.2
[M+K]+ 336.13604 179.2
[M-H]- 296.16560 179.9
[M+Na-2H]- 318.14755 183.6
[M]+ 297.17233 177.0
[M]- 297.17343 177.0
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.