CID 5462506

6-ethylmorphine

Structural Information

Molecular Formula
C19H23NO3
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

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1678 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

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

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.