PubChemLite - Ethylmorphine (C19H23NO3)

Structural Information

Molecular Formula

SMILES

CCOC1=C2C3=C(C[C@@H]4[C@H]5[C@]3(CCN4C)[C@@H](O2)[C@H](C=C5)O)C=C1

InChI

InChI=1S/C19H23NO3/c1-3-22-15-7-4-11-10-13-12-5-6-14(21)18-19(12,8-9-20(13)2)16(11)17(15)23-18/h4-7,12-14,18,21H,3,8-10H2,1-2H3/t12-,13+,14-,18-,19-/m0/s1

InChIKey

OGDVEMNWJVYAJL-LEPYJNQMSA-N

Compound name

(4R,4aR,7S,7aR,12bS)-9-ethoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-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]+	314.17508	173.6
[M+Na]+	336.15702	186.0
[M+NH4]+	331.20162	184.9
[M+K]+	352.13096	178.5
[M-H]-	312.16052	177.1
[M+Na-2H]-	334.14247	174.6
[M]+	313.16725	176.6
[M]-	313.16835	176.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

314.17508

173.6

[M+Na]+

336.15702

186.0

[M+NH4]+

331.20162

184.9

[M+K]+

352.13096

178.5

[M-H]-

312.16052

177.1

[M+Na-2H]-

334.14247

174.6

[M]+

313.16725

176.6

[M]-

313.16835

176.6

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

Ethylmorphine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe