CID 3044048

Furylmethylnormetazocine

Structural Information

Molecular Formula
C19H23NO2
SMILES
C[C@H]1[C@H]2CC3=C([C@@]1(CCN2CC4=COC=C4)C)C=C(C=C3)O
InChI
InChI=1S/C19H23NO2/c1-13-18-9-15-3-4-16(21)10-17(15)19(13,2)6-7-20(18)11-14-5-8-22-12-14/h3-5,8,10,12-13,18,21H,6-7,9,11H2,1-2H3/t13-,18+,19+/m0/s1
InChIKey
MSBGXQSDBDHIGV-MJXNMMHHSA-N
Compound name
(1R,9R,13R)-10-(furan-3-ylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

32
References

0
Patents

297.17288 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.18016 171.2
[M+Na]+ 320.16210 178.9
[M-H]- 296.16560 175.9
[M+NH4]+ 315.20670 189.7
[M+K]+ 336.13604 174.4
[M+H-H2O]+ 280.17014 163.6
[M+HCOO]- 342.17108 184.7
[M+CH3COO]- 356.18673 181.7
[M+Na-2H]- 318.14755 174.8
[M]+ 297.17233 170.4
[M]- 297.17343 170.4
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.