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 171.6
[M+Na]+ 320.16210 174.4
[M-H]- 296.16560 177.2
[M+NH4]+ 315.20670 185.3
[M+K]+ 336.13604 165.4
[M+H-H2O]+ 280.17014 166.5
[M+HCOO]- 342.17108 188.1
[M+CH3COO]- 356.18673 192.6
[M+Na-2H]- 318.14755 176.5
[M]+ 297.17233 164.5
[M]- 297.17343 164.5
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.