CID 5486138

(+)-17-(2-(2-furyl)ethyl)morphinan-3-ol hydrochloride

Structural Information

Molecular Formula
C22H27NO2
SMILES
C1CC[C@]23CCN([C@H]([C@H]2C1)CC4=C3C=C(C=C4)O)CCC5=CC=CO5
InChI
InChI=1S/C22H27NO2/c24-17-7-6-16-14-21-19-5-1-2-9-22(19,20(16)15-17)10-12-23(21)11-8-18-4-3-13-25-18/h3-4,6-7,13,15,19,21,24H,1-2,5,8-12,14H2/t19-,21+,22+/m1/s1
InChIKey
ANCZOEKEGCHEKY-HJNYFJLDSA-N
Compound name
(1S,9S,10S)-17-[2-(furan-2-yl)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

337.2042 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.21148 181.6
[M+Na]+ 360.19342 185.7
[M-H]- 336.19692 187.3
[M+NH4]+ 355.23802 197.5
[M+K]+ 376.16736 180.3
[M+H-H2O]+ 320.20146 171.6
[M+HCOO]- 382.20240 191.7
[M+CH3COO]- 396.21805 189.9
[M+Na-2H]- 358.17887 183.3
[M]+ 337.20365 176.1
[M]- 337.20475 176.1
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.