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

163
Patents

297.1365 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.143776 169.2
[M+Na]+ 320.125718 178.4
[M-H]- 296.129224 173.7
[M+NH4]+ 315.170323 189.3
[M+K]+ 336.099658 173.1
[M+H-H2O]+ 280.133760 161.9
[M+HCOO]- 342.134701 184.5
[M+CH3COO]- 356.150351 180.4
[M+Na-2H]- 318.111166 172.5
[M]+ 297.13595142 169.3
[M]- 297.13704858 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.