CID 4601

Orphenadrine

Structural Information

Molecular Formula

C₁₈H₂₃NO

SMILES

CC1=CC=CC=C1C(C2=CC=CC=C2)OCCN(C)C

InChI

InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3

InChIKey

QVYRGXJJSLMXQH-UHFFFAOYSA-N

Compound name

N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 630
References: 11504
Patents: 269.17798 Da
Monoisotopic Mass: 3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	270.18526	166.1
[M+Na]+	292.16720	179.8
[M+NH4]+	287.21180	175.2
[M+K]+	308.14114	171.4
[M-H]-	268.17070	172.1
[M+Na-2H]-	290.15265	175.7
[M]+	269.17743	169.9
[M]-	269.17853	169.9

Literature stripe

literature stripe

Patent stripe

patents stripe