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 176.0
[M+Na]+ 334.17776 184.2
[M-H]- 310.18126 180.9
[M+NH4]+ 329.22236 194.3
[M+K]+ 350.15170 179.5
[M+H-H2O]+ 294.18580 168.5
[M+HCOO]- 356.18674 189.1
[M+CH3COO]- 370.20239 186.5
[M+Na-2H]- 332.16321 178.5
[M]+ 311.18799 175.9
[M]- 311.18909 175.9
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.