Morphinan, 17-(2-(p-anisyl)ethyl)-3-methoxy-, hydrochloride, (-)- (C26H33NO2)

Structural Information

Molecular Formula

SMILES

COC1=CC=C(C=C1)CCN2CC[C@]34CCCC[C@H]3[C@H]2CC5=C4C=C(C=C5)OC

InChI

InChI=1S/C26H33NO2/c1-28-21-9-6-19(7-10-21)12-15-27-16-14-26-13-4-3-5-23(26)25(27)17-20-8-11-22(29-2)18-24(20)26/h6-11,18,23,25H,3-5,12-17H2,1-2H3/t23-,25+,26+/m0/s1

InChIKey

QETHAUXEBJJFJH-SKBVVQJISA-N

Compound name

(1R,9R,10R)-4-methoxy-17-[2-(4-methoxyphenyl)ethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene

Related CIDs

2D Structure

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]+	392.258406	199.7
[M+Na]+	414.240348	202.7
[M-H]-	390.243854	205.1
[M+NH4]+	409.284953	213.2
[M+K]+	430.214288	196.5
[M+H-H2O]+	374.248390	186.8
[M+HCOO]-	436.249331	209.5
[M+CH3COO]-	450.264981	206.3
[M+Na-2H]-	412.225796	201.1
[M]+	391.25058142	195.6
[M]-	391.25167858	195.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

392.258406

199.7

[M+Na]+

414.240348

202.7

[M-H]-

390.243854

205.1

[M+NH4]+

409.284953

213.2

[M+K]+

430.214288

196.5

[M+H-H2O]+

374.248390

186.8

[M+HCOO]-

436.249331

209.5

[M+CH3COO]-

450.264981

206.3

[M+Na-2H]-

412.225796

201.1

[M]+

391.25058142

195.6

[M]-

391.25167858

195.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Morphinan, 17-(2-(p-anisyl)ethyl)-3-methoxy-, hydrochloride, (-)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe