PubChemLite - Phenomorphan (C24H29NO)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C24H29NO/c26-20-10-9-19-16-23-21-8-4-5-12-24(21,22(19)17-20)13-15-25(23)14-11-18-6-2-1-3-7-18/h1-3,6-7,9-10,17,21,23,26H,4-5,8,11-16H2/t21-,23+,24+/m0/s1

InChIKey

CFBQYWXPZVQQTN-QPTUXGOLSA-N

Compound name

(1R,9R,10R)-17-(2-phenylethyl)-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]+	348.23218	186.9
[M+Na]+	370.21412	189.9
[M-H]-	346.21762	191.2
[M+NH4]+	365.25872	201.5
[M+K]+	386.18806	182.5
[M+H-H2O]+	330.22216	175.0
[M+HCOO]-	392.22310	196.0
[M+CH3COO]-	406.23875	193.8
[M+Na-2H]-	368.19957	189.8
[M]+	347.22435	178.9
[M]-	347.22545	178.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

348.23218

186.9

[M+Na]+

370.21412

189.9

[M-H]-

346.21762

191.2

[M+NH4]+

365.25872

201.5

[M+K]+

386.18806

182.5

[M+H-H2O]+

330.22216

175.0

[M+HCOO]-

392.22310

196.0

[M+CH3COO]-

406.23875

193.8

[M+Na-2H]-

368.19957

189.8

[M]+

347.22435

178.9

[M]-

347.22545

178.9

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

Phenomorphan

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe