CID 6602238

(-)-17-(2-(1-pipecolin-4-yl)ethyl)morphinan-3-ol sulfate

Structural Information

Molecular Formula
C24H36N2O
SMILES
CN1CCC(CC1)CCN2CC[C@]34CCCC[C@H]3[C@H]2CC5=C4C=C(C=C5)O
InChI
InChI=1S/C24H36N2O/c1-25-12-7-18(8-13-25)9-14-26-15-11-24-10-3-2-4-21(24)23(26)16-19-5-6-20(27)17-22(19)24/h5-6,17-18,21,23,27H,2-4,7-16H2,1H3/t21-,23+,24+/m0/s1
InChIKey
SDMJQONKTZXDRX-QPTUXGOLSA-N
Compound name
(1R,9R,10R)-17-[2-(1-methylpiperidin-4-yl)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

368.28278 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.29006 195.8
[M+Na]+ 391.27200 196.6
[M-H]- 367.27550 197.6
[M+NH4]+ 386.31660 208.2
[M+K]+ 407.24594 189.6
[M+H-H2O]+ 351.28004 183.0
[M+HCOO]- 413.28098 199.0
[M+CH3COO]- 427.29663 200.5
[M+Na-2H]- 389.25745 194.7
[M]+ 368.28223 184.4
[M]- 368.28333 184.4
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.