(-)-17-(m-aminophenethyl)morphinan-3-ol hydrochloride (C24H30N2O)

Structural Information

Molecular Formula

SMILES

C1CC[C@@]23CCN([C@@H]([C@@H]2C1)CC4=C3C=C(C=C4)O)CCC5=CC(=CC=C5)N

InChI

InChI=1S/C24H30N2O/c25-19-5-3-4-17(14-19)9-12-26-13-11-24-10-2-1-6-21(24)23(26)15-18-7-8-20(27)16-22(18)24/h3-5,7-8,14,16,21,23,27H,1-2,6,9-13,15,25H2/t21-,23+,24+/m0/s1

InChIKey

FGMDHCTUYSMRIL-QPTUXGOLSA-N

Compound name

(1R,9R,10R)-17-[2-(3-aminophenyl)ethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol

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]+	363.243076	189.7
[M+Na]+	385.225018	192.9
[M-H]-	361.228524	193.7
[M+NH4]+	380.269623	203.5
[M+K]+	401.198958	185.3
[M+H-H2O]+	345.233060	178.2
[M+HCOO]-	407.234001	199.2
[M+CH3COO]-	421.249651	196.3
[M+Na-2H]-	383.210466	191.9
[M]+	362.23525142	180.8
[M]-	362.23634858	180.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

363.243076

189.7

[M+Na]+

385.225018

192.9

[M-H]-

361.228524

193.7

[M+NH4]+

380.269623

203.5

[M+K]+

401.198958

185.3

[M+H-H2O]+

345.233060

178.2

[M+HCOO]-

407.234001

199.2

[M+CH3COO]-

421.249651

196.3

[M+Na-2H]-

383.210466

191.9

[M]+

362.23525142

180.8

[M]-

362.23634858

180.8

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

(-)-17-(m-aminophenethyl)morphinan-3-ol hydrochloride

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe