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]+ 312.195816 176.0
[M+Na]+ 334.177758 184.2
[M-H]- 310.181264 180.9
[M+NH4]+ 329.222363 194.3
[M+K]+ 350.151698 179.5
[M+H-H2O]+ 294.185800 168.5
[M+HCOO]- 356.186741 189.1
[M+CH3COO]- 370.202391 186.5
[M+Na-2H]- 332.163206 178.5
[M]+ 311.18799142 175.9
[M]- 311.18908858 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.