CID 13001737

Schembl10118304

Structural Information

Molecular Formula
C17H19NO3
SMILES
COC1=C2C3=C(CC4C5C3(CCN4)C(O2)C(=O)CC5)C=C1
InChI
InChI=1S/C17H19NO3/c1-20-13-5-2-9-8-11-10-3-4-12(19)16-17(10,6-7-18-11)14(9)15(13)21-16/h2,5,10-11,16,18H,3-4,6-8H2,1H3
InChIKey
JGORUXKMRLIJSV-UHFFFAOYSA-N
Compound name
9-methoxy-2,3,4,4a,5,6,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

429
Patents

285.1365 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.14378 162.9
[M+Na]+ 308.12572 169.0
[M-H]- 284.12922 165.7
[M+NH4]+ 303.17032 182.9
[M+K]+ 324.09966 164.9
[M+H-H2O]+ 268.13376 154.7
[M+HCOO]- 330.13470 171.9
[M+CH3COO]- 344.15035 172.7
[M+Na-2H]- 306.11117 167.5
[M]+ 285.13595 160.6
[M]- 285.13705 160.6
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.