CID 34520

Orphenadrine n-oxide

Structural Information

Molecular Formula
C18H23NO2
SMILES
CC1=CC=CC=C1C(C2=CC=CC=C2)OCC[N+](C)(C)[O-]
InChI
InChI=1S/C18H23NO2/c1-15-9-7-8-12-17(15)18(16-10-5-4-6-11-16)21-14-13-19(2,3)20/h4-12,18H,13-14H2,1-3H3
InChIKey
XMSSICJSZNPVFX-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.17288 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.18016 167.8
[M+Na]+ 308.16210 182.6
[M+NH4]+ 303.20670 176.9
[M+K]+ 324.13604 176.6
[M-H]- 284.16560 174.1
[M+Na-2H]- 306.14755 177.2
[M]+ 285.17233 171.9
[M]- 285.17343 171.9
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.