CID 407731

Dextromethorphan n-oxide hydrochloride

Structural Information

Molecular Formula

C₁₈H₂₅NO₂

SMILES

C[N+]1(CCC23CCCCC2C1CC4=C3C=C(C=C4)OC)[O-]

InChI

InChI=1S/C18H25NO2/c1-19(20)10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(21-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3

InChIKey

ZIZQARJISFQDMO-UHFFFAOYSA-N

Compound name

4-methoxy-17-methyl-17-oxido-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 287.18854 Da
Monoisotopic Mass: 2.9
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]+	288.195816	168.5
[M+Na]+	310.177758	173.1
[M-H]-	286.181264	170.7
[M+NH4]+	305.222363	188.1
[M+K]+	326.151698	163.7
[M+H-H2O]+	270.185800	163.7
[M+HCOO]-	332.186741	179.0
[M+CH3COO]-	346.202391	194.3
[M+Na-2H]-	308.163206	175.3
[M]+	287.18799142	160.9
[M]-	287.18908858	160.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.