CID 3034362

25161-57-3

Structural Information

Molecular Formula
C19H27NO
SMILES
C[C@H]1[C@H]2CC3=C([C@@]1(CCN2CC4CCC4)C)C=C(C=C3)O
InChI
InChI=1S/C19H27NO/c1-13-18-10-15-6-7-16(21)11-17(15)19(13,2)8-9-20(18)12-14-4-3-5-14/h6-7,11,13-14,18,21H,3-5,8-10,12H2,1-2H3/t13-,18+,19+/m0/s1
InChIKey
YDFUPXORFWYBNB-MJXNMMHHSA-N
Compound name
(1R,9R,13R)-10-(cyclobutylmethyl)-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

285.20926 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.21654 169.8
[M+Na]+ 308.19848 177.9
[M+NH4]+ 303.24308 177.0
[M+K]+ 324.17242 169.5
[M-H]- 284.20198 170.7
[M+Na-2H]- 306.18393 171.8
[M]+ 285.20871 170.2
[M]- 285.20981 170.2
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.