CID 6602222

Morphinan-3-ol, 17-(3-methyl-2-pentenyl)-, 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]+ 326.247846 183.1
[M+Na]+ 348.229788 185.8
[M-H]- 324.233294 184.3
[M+NH4]+ 343.274393 199.4
[M+K]+ 364.203728 179.4
[M+H-H2O]+ 308.237830 173.7
[M+HCOO]- 370.238771 190.8
[M+CH3COO]- 384.254421 190.1
[M+Na-2H]- 346.215236 183.9
[M]+ 325.24002142 175.9
[M]- 325.24111858 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.