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]+ 355.27440 190.4
[M+Na]+ 377.25634 190.4
[M-H]- 353.25984 190.8
[M+NH4]+ 372.30094 202.4
[M+K]+ 393.23028 182.8
[M+H-H2O]+ 337.26438 178.1
[M+HCOO]- 399.26532 192.6
[M+CH3COO]- 413.28097 194.6
[M+Na-2H]- 375.24179 190.4
[M]+ 354.26657 176.7
[M]- 354.26767 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.