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 167.5
[M+Na]+ 308.16210 171.9
[M-H]- 284.16560 173.5
[M+NH4]+ 303.20670 182.5
[M+K]+ 324.13604 164.2
[M+H-H2O]+ 268.17014 164.4
[M+HCOO]- 330.17108 189.6
[M+CH3COO]- 344.18673 198.2
[M+Na-2H]- 306.14755 174.4
[M]+ 285.17233 167.0
[M]- 285.17343 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.