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 189.7
[M+Na]+ 385.22502 192.9
[M-H]- 361.22852 193.7
[M+NH4]+ 380.26962 203.5
[M+K]+ 401.19896 185.3
[M+H-H2O]+ 345.23306 178.2
[M+HCOO]- 407.23400 199.2
[M+CH3COO]- 421.24965 196.3
[M+Na-2H]- 383.21047 191.9
[M]+ 362.23525 180.8
[M]- 362.23635 180.8
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.