Levophenacylmorphan (C24H27NO2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C24H27NO2/c26-19-10-9-18-14-22-20-8-4-5-11-24(20,21(18)15-19)12-13-25(22)16-23(27)17-6-2-1-3-7-17/h1-3,6-7,9-10,15,20,22,26H,4-5,8,11-14,16H2/t20-,22+,24+/m0/s1

InChIKey

RCYBMSQOSGJZLO-BGWNEDDSSA-N

Compound name

2-[(1R,9R,10R)-4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl]-1-phenylethanone

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]+	362.211476	188.9
[M+Na]+	384.193418	191.7
[M-H]-	360.196924	193.3
[M+NH4]+	379.238023	202.7
[M+K]+	400.167358	185.0
[M+H-H2O]+	344.201460	177.3
[M+HCOO]-	406.202401	197.3
[M+CH3COO]-	420.218051	195.6
[M+Na-2H]-	382.178866	190.9
[M]+	361.20365142	181.1
[M]-	361.20474858	181.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

362.211476

188.9

[M+Na]+

384.193418

191.7

[M-H]-

360.196924

193.3

[M+NH4]+

379.238023

202.7

[M+K]+

400.167358

185.0

[M+H-H2O]+

344.201460

177.3

[M+HCOO]-

406.202401

197.3

[M+CH3COO]-

420.218051

195.6

[M+Na-2H]-

382.178866

190.9

[M]+

361.20365142

181.1

[M]-

361.20474858

181.1

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

Levophenacylmorphan

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe