CID 9905989

10-oxo naloxone

Structural Information

Molecular Formula
C19H19NO5
SMILES
C=CCN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1C(=O)C5=C3C(=C(C=C5)O)O4)O
InChI
InChI=1S/C19H19NO5/c1-2-8-20-9-7-18-13-10-3-4-11(21)15(13)25-17(18)12(22)5-6-19(18,24)16(20)14(10)23/h2-4,16-17,21,24H,1,5-9H2/t16-,17+,18+,19-/m1/s1
InChIKey
IKMNPTIPIBFNPV-YDZRNGNQSA-N
Compound name
(4S,4aS,7aR,12bS)-4a,9-dihydroxy-3-prop-2-enyl-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7,13-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.1263 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.13358 178.1
[M+Na]+ 364.11552 188.4
[M+NH4]+ 359.16012 188.3
[M+K]+ 380.08946 180.8
[M-H]- 340.11902 179.2
[M+Na-2H]- 362.10097 177.9
[M]+ 341.12575 179.9
[M]- 341.12685 179.9
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.