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 157.5
[M+Na]+ 281.13862 161.9
[M-H]- 257.14212 158.2
[M+NH4]+ 276.18322 175.7
[M+K]+ 297.11256 157.6
[M+H-H2O]+ 241.14666 150.9
[M+HCOO]- 303.14760 167.7
[M+CH3COO]- 317.16325 192.7
[M+Na-2H]- 279.12407 162.2
[M]+ 258.14885 148.9
[M]- 258.14995 148.9
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.