CID 197198

Mr 1353

Structural Information

Molecular Formula
C20H25NO2
SMILES
C[C@H]1[C@H]2CC3=C([C@@]1(CCN2CC4=C(C=CO4)C)C)C=C(C=C3)O
InChI
InChI=1S/C20H25NO2/c1-13-6-9-23-19(13)12-21-8-7-20(3)14(2)18(21)10-15-4-5-16(22)11-17(15)20/h4-6,9,11,14,18,22H,7-8,10,12H2,1-3H3/t14-,18+,20+/m0/s1
InChIKey
OXQHKDIGLPECKK-BOUXLOLZSA-N
Compound name
(1R,9R,13R)-1,13-dimethyl-10-[(3-methylfuran-2-yl)methyl]-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

1
References

0
Patents

311.18854 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.19582 175.7
[M+Na]+ 334.17776 189.3
[M+NH4]+ 329.22236 186.6
[M+K]+ 350.15170 181.2
[M-H]- 310.18126 180.7
[M+Na-2H]- 332.16321 179.9
[M]+ 311.18799 179.4
[M]- 311.18909 179.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.