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]+ 298.180156 171.6
[M+Na]+ 320.162098 174.4
[M-H]- 296.165604 177.2
[M+NH4]+ 315.206703 185.3
[M+K]+ 336.136038 165.4
[M+H-H2O]+ 280.170140 166.5
[M+HCOO]- 342.171081 188.1
[M+CH3COO]- 356.186731 192.6
[M+Na-2H]- 318.147546 176.5
[M]+ 297.17233142 164.5
[M]- 297.17342858 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.