CID 6602239

(-)-17-(2-(4-piperidyl)ethyl)morphinan-3-ol sulfate

Structural Information

Molecular Formula
C23H34N2O
SMILES
C1CC[C@@]23CCN([C@@H]([C@@H]2C1)CC4=C3C=C(C=C4)O)CCC5CCNCC5
InChI
InChI=1S/C23H34N2O/c26-19-5-4-18-15-22-20-3-1-2-9-23(20,21(18)16-19)10-14-25(22)13-8-17-6-11-24-12-7-17/h4-5,16-17,20,22,24,26H,1-3,6-15H2/t20-,22+,23+/m0/s1
InChIKey
KOWHHTOUNDNSQD-MDNUFGMLSA-N
Compound name
(1R,9R,10R)-17-(2-piperidin-4-ylethyl)-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

354.26712 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.274396 190.4
[M+Na]+ 377.256338 190.4
[M-H]- 353.259844 190.8
[M+NH4]+ 372.300943 202.4
[M+K]+ 393.230278 182.8
[M+H-H2O]+ 337.264380 178.1
[M+HCOO]- 399.265321 192.6
[M+CH3COO]- 413.280971 194.6
[M+Na-2H]- 375.241786 190.4
[M]+ 354.26657142 176.7
[M]- 354.26766858 176.7
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.