Morphinan-3-ol, 17-(2-(2-furyl)ethyl)-, hydrochloride, (+)- (C22H27NO2)

Structural Information

Molecular Formula

SMILES

C1CC[C@]23CCN([C@H]([C@H]2C1)CC4=C3C=C(C=C4)O)CCC5=CC=CO5

InChI

InChI=1S/C22H27NO2/c24-17-7-6-16-14-21-19-5-1-2-9-22(19,20(16)15-17)10-12-23(21)11-8-18-4-3-13-25-18/h3-4,6-7,13,15,19,21,24H,1-2,5,8-12,14H2/t19-,21+,22+/m1/s1

InChIKey

ANCZOEKEGCHEKY-HJNYFJLDSA-N

Compound name

(1S,9S,10S)-17-[2-(furan-2-yl)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]+	338.211476	181.6
[M+Na]+	360.193418	185.7
[M-H]-	336.196924	187.3
[M+NH4]+	355.238023	197.5
[M+K]+	376.167358	180.3
[M+H-H2O]+	320.201460	171.6
[M+HCOO]-	382.202401	191.7
[M+CH3COO]-	396.218051	189.9
[M+Na-2H]-	358.178866	183.3
[M]+	337.20365142	176.1
[M]-	337.20474858	176.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

338.211476

181.6

[M+Na]+

360.193418

185.7

[M-H]-

336.196924

187.3

[M+NH4]+

355.238023

197.5

[M+K]+

376.167358

180.3

[M+H-H2O]+

320.201460

171.6

[M+HCOO]-

382.202401

191.7

[M+CH3COO]-

396.218051

189.9

[M+Na-2H]-

358.178866

183.3

[M]+

337.20365142

176.1

[M]-

337.20474858

176.1

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

Morphinan-3-ol, 17-(2-(2-furyl)ethyl)-, hydrochloride, (+)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe