CID 3053632

2,6-methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(2'-methoxy-2'-methylpropyl)-, hydrochloride, (-)-(2r,6r,11r)-

Structural Information

Molecular Formula
C19H29NO2
SMILES
CC1[C@@H]2CC3=C([C@]1(CCN2CC(C)(C)OC)C)C=C(C=C3)O
InChI
InChI=1S/C19H29NO2/c1-13-17-10-14-6-7-15(21)11-16(14)19(13,4)8-9-20(17)12-18(2,3)22-5/h6-7,11,13,17,21H,8-10,12H2,1-5H3/t13?,17-,19-/m0/s1
InChIKey
ZTYNUCIKCSFARW-LNXOFFIKSA-N
Compound name
(1S,9S)-10-(2-methoxy-2-methylpropyl)-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
1
Annotation Hits

0
References

0
Patents

303.21982 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.227096 177.3
[M+Na]+ 326.209038 183.8
[M-H]- 302.212544 177.7
[M+NH4]+ 321.253643 195.6
[M+K]+ 342.182978 179.7
[M+H-H2O]+ 286.217080 170.6
[M+HCOO]- 348.218021 187.7
[M+CH3COO]- 362.233671 208.0
[M+Na-2H]- 324.194486 182.1
[M]+ 303.21927142 177.2
[M]- 303.22036858 177.2
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.