CID 5486079

(-)-17-(m-aminophenethyl)morphinan-3-ol hydrochloride

Structural Information

Molecular Formula
C24H30N2O
SMILES
C1CC[C@@]23CCN([C@@H]([C@@H]2C1)CC4=C3C=C(C=C4)O)CCC5=CC(=CC=C5)N
InChI
InChI=1S/C24H30N2O/c25-19-5-3-4-17(14-19)9-12-26-13-11-24-10-2-1-6-21(24)23(26)15-18-7-8-20(27)16-22(18)24/h3-5,7-8,14,16,21,23,27H,1-2,6,9-13,15,25H2/t21-,23+,24+/m0/s1
InChIKey
FGMDHCTUYSMRIL-QPTUXGOLSA-N
Compound name
(1R,9R,10R)-17-[2-(3-aminophenyl)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

362.2358 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.24308 192.2
[M+Na]+ 385.22502 205.4
[M+NH4]+ 380.26962 203.5
[M+K]+ 401.19896 193.5
[M-H]- 361.22852 198.9
[M+Na-2H]- 383.21047 198.5
[M]+ 362.23525 196.2
[M]- 362.23635 196.2
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.