CID 5486112

Morphinan-3-ol, 17-(p-hydroxyphenethyl)-, hydrochloride, (-)-

Structural Information

Molecular Formula
C24H29NO2
SMILES
C1CC[C@@]23CCN([C@@H]([C@@H]2C1)CC4=C3C=C(C=C4)O)CCC5=CC=C(C=C5)O
InChI
InChI=1S/C24H29NO2/c26-19-7-4-17(5-8-19)10-13-25-14-12-24-11-2-1-3-21(24)23(25)15-18-6-9-20(27)16-22(18)24/h4-9,16,21,23,26-27H,1-3,10-15H2/t21-,23+,24+/m0/s1
InChIKey
FOXDWXFVKIKGFK-QPTUXGOLSA-N
Compound name
(1R,9R,10R)-17-[2-(4-hydroxyphenyl)ethyl]-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

363.21982 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.22710 190.3
[M+Na]+ 386.20904 193.7
[M-H]- 362.21254 193.7
[M+NH4]+ 381.25364 203.9
[M+K]+ 402.18298 186.4
[M+H-H2O]+ 346.21708 179.1
[M+HCOO]- 408.21802 198.0
[M+CH3COO]- 422.23367 196.8
[M+Na-2H]- 384.19449 192.5
[M]+ 363.21927 182.6
[M]- 363.22037 182.6
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.