CID 6912268

Morphinan-3-ol, 17-(3-methylpent-2-en-4-ynyl)-, tartrate, (-)-

Structural Information

Molecular Formula
C22H27NO
SMILES
C/C(=C\CN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)O)/C#C
InChI
InChI=1S/C22H27NO/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/h1,7-9,15,19,21,24H,4-6,10-14H2,2H3/b16-9+/t19-,21+,22+/m0/s1
InChIKey
YIKSSYMTVRSJBE-XVQCIPBASA-N
Compound name
(1R,9R,10R)-17-[(E)-3-methylpent-2-en-4-ynyl]-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

321.20926 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.216536 181.9
[M+Na]+ 344.198478 189.4
[M-H]- 320.201984 181.8
[M+NH4]+ 339.243083 196.5
[M+K]+ 360.172418 176.9
[M+H-H2O]+ 304.206520 167.8
[M+HCOO]- 366.207461 185.6
[M+CH3COO]- 380.223111 187.9
[M+Na-2H]- 342.183926 182.0
[M]+ 321.20871142 169.5
[M]- 321.20980858 169.5
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.