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 167.7
[M+Na]+ 322.14135 173.7
[M-H]- 298.14485 169.4
[M+NH4]+ 317.18595 186.7
[M+K]+ 338.11529 169.1
[M+H-H2O]+ 282.14939 159.7
[M+HCOO]- 344.15033 176.2
[M+CH3COO]- 358.16598 176.9
[M+Na-2H]- 320.12680 172.4
[M]+ 299.15158 166.2
[M]- 299.15268 166.2
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.