CID 122373023

Virosinine a

Structural Information

Molecular Formula
C13H15NO2
SMILES
C1CCN2[C@H](C1)[C@@]34CC=C[C@@H]2C3=CC(=O)O4
InChI
InChI=1S/C13H15NO2/c15-12-8-9-10-4-3-6-13(9,16-12)11-5-1-2-7-14(10)11/h3-4,8,10-11H,1-2,5-7H2/t10-,11-,13-/m1/s1
InChIKey
IHBADCFUIGGCJV-NQBHXWOUSA-N
Compound name
(1R,2R,8R)-12-oxa-7-azatetracyclo[6.4.3.01,9.02,7]pentadeca-9,14-dien-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

217.11028 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11756 146.6
[M+Na]+ 240.09950 154.2
[M-H]- 216.10300 151.9
[M+NH4]+ 235.14410 170.5
[M+K]+ 256.07344 151.5
[M+H-H2O]+ 200.10754 140.5
[M+HCOO]- 262.10848 162.7
[M+CH3COO]- 276.12413 159.2
[M+Na-2H]- 238.08495 150.7
[M]+ 217.10973 144.0
[M]- 217.11083 144.0
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.