CID 5486016

(-)-3-methoxy-17-(3-methylpentyl)morphinan tartrate

Structural Information

Molecular Formula
C23H35NO
SMILES
CCC(C)CCN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)OC
InChI
InChI=1S/C23H35NO/c1-4-17(2)10-13-24-14-12-23-11-6-5-7-20(23)22(24)15-18-8-9-19(25-3)16-21(18)23/h8-9,16-17,20,22H,4-7,10-15H2,1-3H3/t17?,20-,22+,23+/m0/s1
InChIKey
PIHRJWLNLJWLNW-QPZSAISSSA-N
Compound name
(1R,9R,10R)-4-methoxy-17-(3-methylpentyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.27185 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.27913 188.6
[M+Na]+ 364.26107 190.8
[M-H]- 340.26457 190.8
[M+NH4]+ 359.30567 204.8
[M+K]+ 380.23501 185.5
[M+H-H2O]+ 324.26911 178.3
[M+HCOO]- 386.27005 197.1
[M+CH3COO]- 400.28570 195.6
[M+Na-2H]- 362.24652 189.1
[M]+ 341.27130 184.1
[M]- 341.27240 184.1
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.