PubChemLite - 6-ethylmorphine (C19H23NO3)

Structural Information

Molecular Formula

SMILES

CCO[C@H]1C=C[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3C

InChI

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

InChIKey

SWYNUDMXTNTERF-SSTWWWIQSA-N

Compound name

(4R,4aR,7S,7aR,12bS)-7-ethoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-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	172.9
[M+Na]+	336.15702	179.6
[M-H]-	312.16052	176.0
[M+NH4]+	331.20162	192.2
[M+K]+	352.13096	175.6
[M+H-H2O]+	296.16506	164.5
[M+HCOO]-	358.16600	182.3
[M+CH3COO]-	372.18165	182.5
[M+Na-2H]-	334.14247	176.6
[M]+	313.16725	173.7
[M]-	313.16835	173.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

314.17508

172.9

[M+Na]+

336.15702

179.6

[M-H]-

312.16052

176.0

[M+NH4]+

331.20162

192.2

[M+K]+

352.13096

175.6

[M+H-H2O]+

296.16506

164.5

[M+HCOO]-

358.16600

182.3

[M+CH3COO]-

372.18165

182.5

[M+Na-2H]-

334.14247

176.6

[M]+

313.16725

173.7

[M]-

313.16835

173.7

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

6-ethylmorphine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe