CID 6602227

(-)-17-(p-nitrophenethyl)morphinan-3-ol hydrochloride

Structural Information

Molecular Formula
C24H28N2O3
SMILES
C1CC[C@@]23CCN([C@@H]([C@@H]2C1)CC4=C3C=C(C=C4)O)CCC5=CC=C(C=C5)[N+](=O)[O-]
InChI
InChI=1S/C24H28N2O3/c27-20-9-6-18-15-23-21-3-1-2-11-24(21,22(18)16-20)12-14-25(23)13-10-17-4-7-19(8-5-17)26(28)29/h4-9,16,21,23,27H,1-3,10-15H2/t21-,23+,24+/m0/s1
InChIKey
NIENDUOHKDZZMH-QPTUXGOLSA-N
Compound name
(1R,9R,10R)-17-[2-(4-nitrophenyl)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

1
Patents

392.21 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.21728 195.4
[M+Na]+ 415.19922 209.2
[M+NH4]+ 410.24382 206.0
[M+K]+ 431.17316 200.4
[M-H]- 391.20272 202.3
[M+Na-2H]- 413.18467 201.3
[M]+ 392.20945 199.5
[M]- 392.21055 199.5
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.