CID 13728875

Ns00116627

Structural Information

Molecular Formula
C18H21NO3
SMILES
CCOC1=C2C3=C(CC4C5C3(CCN4)C(O2)C(C=C5)O)C=C1
InChI
InChI=1S/C18H21NO3/c1-2-21-14-6-3-10-9-12-11-4-5-13(20)17-18(11,7-8-19-12)15(10)16(14)22-17/h3-6,11-13,17,19-20H,2,7-9H2,1H3
InChIKey
YCZKZYXHGKGDNL-UHFFFAOYSA-N
Compound name
9-ethoxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

299.15213 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.15941 169.4
[M+Na]+ 322.14135 181.1
[M+NH4]+ 317.18595 180.6
[M+K]+ 338.11529 173.9
[M-H]- 298.14485 172.4
[M+Na-2H]- 320.12680 170.4
[M]+ 299.15158 172.1
[M]- 299.15268 172.1
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.