CID 65631

Glaziovine

Structural Information

Molecular Formula
C18H19NO3
SMILES
CN1CCC2=CC(=C(C3=C2C1CC34C=CC(=O)C=C4)O)OC
InChI
InChI=1S/C18H19NO3/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/h3-4,6-7,9,13,21H,5,8,10H2,1-2H3
InChIKey
PNJUPRNTSWJWAX-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'-cyclohexa-2,5-diene]-1'-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

162
Patents

297.1365 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.14378 169.2
[M+Na]+ 320.12572 178.4
[M-H]- 296.12922 173.7
[M+NH4]+ 315.17032 189.3
[M+K]+ 336.09966 173.1
[M+H-H2O]+ 280.13376 161.9
[M+HCOO]- 342.13470 184.5
[M+CH3COO]- 356.15035 180.4
[M+Na-2H]- 318.11117 172.5
[M]+ 297.13595 169.3
[M]- 297.13705 169.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.