PubChemLite - Oliceridine (C22H30N2O2S)

Structural Information

Molecular Formula

SMILES

COC1=C(SC=C1)CNCC[C@]2(CCOC3(C2)CCCC3)C4=CC=CC=N4

InChI

InChI=1S/C22H30N2O2S/c1-25-18-7-15-27-19(18)16-23-13-10-21(20-6-2-5-12-24-20)11-14-26-22(17-21)8-3-4-9-22/h2,5-7,12,15,23H,3-4,8-11,13-14,16-17H2,1H3/t21-/m1/s1

InChIKey

DMNOVGJWPASQDL-OAQYLSRUSA-N

Compound name

N-[(3-methoxythiophen-2-yl)methyl]-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine

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]+	387.21008	190.3
[M+Na]+	409.19202	194.6
[M-H]-	385.19552	200.3
[M+NH4]+	404.23662	206.8
[M+K]+	425.16596	191.1
[M+H-H2O]+	369.20006	182.4
[M+HCOO]-	431.20100	204.2
[M+CH3COO]-	445.21665	199.5
[M+Na-2H]-	407.17747	190.1
[M]+	386.20225	189.6
[M]-	386.20335	189.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

387.21008

190.3

[M+Na]+

409.19202

194.6

[M-H]-

385.19552

200.3

[M+NH4]+

404.23662

206.8

[M+K]+

425.16596

191.1

[M+H-H2O]+

369.20006

182.4

[M+HCOO]-

431.20100

204.2

[M+CH3COO]-

445.21665

199.5

[M+Na-2H]-

407.17747

190.1

[M]+

386.20225

189.6

[M]-

386.20335

189.6

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

Oliceridine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe