PubChemLite - Phenazocine (C22H27NO)

Structural Information

Molecular Formula

SMILES

CC1C2CC3=C(C1(CCN2CCC4=CC=CC=C4)C)C=C(C=C3)O

InChI

InChI=1S/C22H27NO/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17/h3-9,15-16,21,24H,10-14H2,1-2H3

InChIKey

ZQHYKVKNPWDQSL-UHFFFAOYSA-N

Compound name

1,13-dimethyl-10-(2-phenylethyl)-10-azatricyclo[7.3.1.02,7]trideca-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]+	322.21654	181.4
[M+Na]+	344.19848	196.3
[M+NH4]+	339.24308	192.9
[M+K]+	360.17242	184.2
[M-H]-	320.20198	186.4
[M+Na-2H]-	342.18393	188.1
[M]+	321.20871	185.3
[M]-	321.20981	185.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

322.21654

181.4

[M+Na]+

344.19848

196.3

[M+NH4]+

339.24308

192.9

[M+K]+

360.17242

184.2

[M-H]-

320.20198

186.4

[M+Na-2H]-

342.18393

188.1

[M]+

321.20871

185.3

[M]-

321.20981

185.3

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

Phenazocine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe