(-)-17-(2-(2-furyl)ethyl)-3-methoxymorphinan tartrate (C23H29NO2)

Structural Information

Molecular Formula

SMILES

COC1=CC2=C(C[C@@H]3[C@H]4[C@@]2(CCCC4)CCN3CCC5=CC=CO5)C=C1

InChI

InChI=1S/C23H29NO2/c1-25-19-8-7-17-15-22-20-6-2-3-10-23(20,21(17)16-19)11-13-24(22)12-9-18-5-4-14-26-18/h4-5,7-8,14,16,20,22H,2-3,6,9-13,15H2,1H3/t20-,22+,23+/m0/s1

InChIKey

CPTGBMIVOKLNKH-MDNUFGMLSA-N

Compound name

(1R,9R,10R)-17-[2-(furan-2-yl)ethyl]-4-methoxy-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]+	352.227096	186.3
[M+Na]+	374.209038	190.3
[M-H]-	350.212544	193.0
[M+NH4]+	369.253643	202.2
[M+K]+	390.182978	185.5
[M+H-H2O]+	334.217080	175.6
[M+HCOO]-	396.218021	197.4
[M+CH3COO]-	410.233671	194.7
[M+Na-2H]-	372.194486	187.6
[M]+	351.21927142	182.7
[M]-	351.22036858	182.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

352.227096

186.3

[M+Na]+

374.209038

190.3

[M-H]-

350.212544

193.0

[M+NH4]+

369.253643

202.2

[M+K]+

390.182978

185.5

[M+H-H2O]+

334.217080

175.6

[M+HCOO]-

396.218021

197.4

[M+CH3COO]-

410.233671

194.7

[M+Na-2H]-

372.194486

187.6

[M]+

351.21927142

182.7

[M]-

351.22036858

182.7

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

(-)-17-(2-(2-furyl)ethyl)-3-methoxymorphinan tartrate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe