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 170.2
[M+Na]+ 308.19848 175.2
[M-H]- 284.20198 173.3
[M+NH4]+ 303.24308 182.4
[M+K]+ 324.17242 172.9
[M+H-H2O]+ 268.20652 157.6
[M+HCOO]- 330.20746 180.7
[M+CH3COO]- 344.22311 179.1
[M+Na-2H]- 306.18393 173.2
[M]+ 285.20871 174.8
[M]- 285.20981 174.8
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.