CID 5486124

Morphinan-3-ol, 17-(2-(p-anisyl)ethyl)-, tartrate, (-)-

Structural Information

Molecular Formula
C25H31NO2
SMILES
COC1=CC=C(C=C1)CCN2CC[C@]34CCCC[C@H]3[C@H]2CC5=C4C=C(C=C5)O
InChI
InChI=1S/C25H31NO2/c1-28-21-9-5-18(6-10-21)11-14-26-15-13-25-12-3-2-4-22(25)24(26)16-19-7-8-20(27)17-23(19)25/h5-10,17,22,24,27H,2-4,11-16H2,1H3/t22-,24+,25+/m0/s1
InChIKey
FZPYRIRIHFWSCZ-ICDZXHCJSA-N
Compound name
(1R,9R,10R)-17-[2-(4-methoxyphenyl)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

377.23547 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.24275 196.7
[M+Na]+ 400.22469 210.7
[M+NH4]+ 395.26929 207.9
[M+K]+ 416.19863 198.5
[M-H]- 376.22819 202.8
[M+Na-2H]- 398.21014 203.0
[M]+ 377.23492 200.8
[M]- 377.23602 200.8
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.