PubChemLite - (-)-17-(p-aminophenethyl)morphinan-3-ol (C24H30N2O)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C24H30N2O/c25-19-7-4-17(5-8-19)10-13-26-14-12-24-11-2-1-3-21(24)23(26)15-18-6-9-20(27)16-22(18)24/h4-9,16,21,23,27H,1-3,10-15,25H2/t21-,23+,24+/m0/s1

InChIKey

ZRCMOECJOLTRBV-QPTUXGOLSA-N

Compound name

(1R,9R,10R)-17-[2-(4-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]+	363.24308	189.7
[M+Na]+	385.22502	192.9
[M-H]-	361.22852	193.7
[M+NH4]+	380.26962	203.5
[M+K]+	401.19896	185.3
[M+H-H2O]+	345.23306	178.2
[M+HCOO]-	407.23400	199.2
[M+CH3COO]-	421.24965	196.3
[M+Na-2H]-	383.21047	191.9
[M]+	362.23525	180.8
[M]-	362.23635	180.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

363.24308

189.7

[M+Na]+

385.22502

192.9

[M-H]-

361.22852

193.7

[M+NH4]+

380.26962

203.5

[M+K]+

401.19896

185.3

[M+H-H2O]+

345.23306

178.2

[M+HCOO]-

407.23400

199.2

[M+CH3COO]-

421.24965

196.3

[M+Na-2H]-

383.21047

191.9

[M]+

362.23525

180.8

[M]-

362.23635

180.8

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

(-)-17-(p-aminophenethyl)morphinan-3-ol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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