CID 5359271

Ethylmorphine

Structural Information

Molecular Formula
C19H23NO3
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

compound 2d structure
8
Annotation Hits

236
References

13637
Patents

313.1678 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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 (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.