CID 3041538

(+-)-11,12-dihydroglaziovine [french]

Structural Information

Molecular Formula
C18H21NO3
SMILES
CN1CCC2=CC(=C(C3=C2C1CC34CCC(=O)C=C4)O)OC
InChI
InChI=1S/C18H21NO3/c1-19-8-5-11-9-14(22-2)17(21)16-15(11)13(19)10-18(16)6-3-12(20)4-7-18/h3,6,9,13,21H,4-5,7-8,10H2,1-2H3
InChIKey
UCWNNWKLQBMGQH-UHFFFAOYSA-N
Compound name
11-hydroxy-10-methoxy-5-methylspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohex-2-ene]-1'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.15213 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.15941 170.4
[M+Na]+ 322.14135 178.5
[M-H]- 298.14485 174.4
[M+NH4]+ 317.18595 190.3
[M+K]+ 338.11529 173.4
[M+H-H2O]+ 282.14939 163.1
[M+HCOO]- 344.15033 184.2
[M+CH3COO]- 358.16598 181.0
[M+Na-2H]- 320.12680 172.7
[M]+ 299.15158 169.0
[M]- 299.15268 169.0
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.