CID 3053632

70172-29-1

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]+ 304.22710 177.3
[M+Na]+ 326.20904 183.8
[M-H]- 302.21254 177.7
[M+NH4]+ 321.25364 195.6
[M+K]+ 342.18298 179.7
[M+H-H2O]+ 286.21708 170.6
[M+HCOO]- 348.21802 187.7
[M+CH3COO]- 362.23367 208.0
[M+Na-2H]- 324.19449 182.1
[M]+ 303.21927 177.2
[M]- 303.22037 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.