CID 86278692

Morphinan-3-ol, 17-oxide, (-)-

Structural Information

Molecular Formula
C16H20NO2
SMILES
C1CC[C@@]23CCN([C@@H]([C@@H]2C1)CC4=C3C=C(C=C4)O)[O-]
InChI
InChI=1S/C16H20NO2/c18-12-5-4-11-9-15-13-3-1-2-6-16(13,14(11)10-12)7-8-17(15)19/h4-5,10,13,15,18H,1-3,6-9H2/q-1/t13-,15+,16+/m0/s1
InChIKey
UIOVLXOAZGCQNI-NUEKZKHPSA-N
Compound name
(1R,9R,10R)-17-oxido-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.1494 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.15668 161.7
[M+Na]+ 281.13862 173.7
[M+NH4]+ 276.18322 172.6
[M+K]+ 297.11256 165.0
[M-H]- 257.14212 164.6
[M+Na-2H]- 279.12407 165.5
[M]+ 258.14885 164.0
[M]- 258.14995 164.0
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.