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]+ 300.159406 170.4
[M+Na]+ 322.141348 178.5
[M-H]- 298.144854 174.4
[M+NH4]+ 317.185953 190.3
[M+K]+ 338.115288 173.4
[M+H-H2O]+ 282.149390 163.1
[M+HCOO]- 344.150331 184.2
[M+CH3COO]- 358.165981 181.0
[M+Na-2H]- 320.126796 172.7
[M]+ 299.15158142 169.0
[M]- 299.15267858 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.