CID 6602222

(-)-17-(3-methyl-2-pentenyl)morphinan-3-ol tartrate

Structural Information

Molecular Formula
C22H31NO
SMILES
CC/C(=C/CN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)O)/C
InChI
InChI=1S/C22H31NO/c1-3-16(2)9-12-23-13-11-22-10-5-4-6-19(22)21(23)14-17-7-8-18(24)15-20(17)22/h7-9,15,19,21,24H,3-6,10-14H2,1-2H3/b16-9+/t19-,21+,22+/m0/s1
InChIKey
OVUJOPASZVRAIB-XVQCIPBASA-N
Compound name
(1R,9R,10R)-17-[(E)-3-methylpent-2-enyl]-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

325.24057 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.24785 183.1
[M+Na]+ 348.22979 185.8
[M-H]- 324.23329 184.3
[M+NH4]+ 343.27439 199.4
[M+K]+ 364.20373 179.4
[M+H-H2O]+ 308.23783 173.7
[M+HCOO]- 370.23877 190.8
[M+CH3COO]- 384.25442 190.1
[M+Na-2H]- 346.21524 183.9
[M]+ 325.24002 175.9
[M]- 325.24112 175.9
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.