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]+ 286.180156 167.5
[M+Na]+ 308.162098 171.9
[M-H]- 284.165604 173.5
[M+NH4]+ 303.206703 182.5
[M+K]+ 324.136038 164.2
[M+H-H2O]+ 268.170140 164.4
[M+HCOO]- 330.171081 189.6
[M+CH3COO]- 344.186731 198.2
[M+Na-2H]- 306.147546 174.4
[M]+ 285.17233142 167.0
[M]- 285.17342858 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.