CID 5486073

(+-)-17-(p-nitrophenethyl)morphinan hydrochloride

Structural Information

Molecular Formula
C24H28N2O2
SMILES
C1CC[C@@]23CCN([C@@H]([C@@H]2C1)CC4=CC=CC=C34)CCC5=CC=C(C=C5)[N+](=O)[O-]
InChI
InChI=1S/C24H28N2O2/c27-26(28)20-10-8-18(9-11-20)12-15-25-16-14-24-13-4-3-7-22(24)23(25)17-19-5-1-2-6-21(19)24/h1-2,5-6,8-11,22-23H,3-4,7,12-17H2/t22-,23+,24-/m0/s1
InChIKey
JJOMQRLNLKOSIK-VXNXHJTFSA-N
Compound name
(1R,9R,10R)-17-[2-(4-nitrophenyl)ethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.2151 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.22238 192.8
[M+Na]+ 399.20432 207.3
[M+NH4]+ 394.24892 204.3
[M+K]+ 415.17826 197.4
[M-H]- 375.20782 200.6
[M+Na-2H]- 397.18977 199.9
[M]+ 376.21455 197.3
[M]- 376.21565 197.3
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.