CID 28656

O-demethyl-m-methyl orphenadrine

Structural Information

Molecular Formula
C18H23NO
SMILES
CC1=CC(=CC=C1)C(C2=CC=CC=C2)OCCN(C)C
InChI
InChI=1S/C18H23NO/c1-15-8-7-11-17(14-15)18(20-13-12-19(2)3)16-9-5-4-6-10-16/h4-11,14,18H,12-13H2,1-3H3
InChIKey
VSIVTUKDXUYWPL-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[(3-methylphenyl)-phenylmethoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

269.17798 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.18526 166.0
[M+Na]+ 292.16720 170.7
[M-H]- 268.17070 173.4
[M+NH4]+ 287.21180 182.4
[M+K]+ 308.14114 168.2
[M+H-H2O]+ 252.17524 157.4
[M+HCOO]- 314.17618 189.7
[M+CH3COO]- 328.19183 206.3
[M+Na-2H]- 290.15265 169.5
[M]+ 269.17743 168.2
[M]- 269.17853 168.2
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.