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]+ 300.159406 167.7
[M+Na]+ 322.141348 173.7
[M-H]- 298.144854 169.4
[M+NH4]+ 317.185953 186.7
[M+K]+ 338.115288 169.1
[M+H-H2O]+ 282.149390 159.7
[M+HCOO]- 344.150331 176.2
[M+CH3COO]- 358.165981 176.9
[M+Na-2H]- 320.126796 172.4
[M]+ 299.15158142 166.2
[M]- 299.15267858 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.