CID 41681

Oxoglaucine methiodide

Structural Information

Molecular Formula
C21H20NO5
SMILES
C[N+]1=C2C3=C(C4=CC(=C(C=C4C2=O)OC)OC)C(=C(C=C3C=C1)OC)OC
InChI
InChI=1S/C21H20NO5/c1-22-7-6-11-8-16(26-4)21(27-5)18-12-9-14(24-2)15(25-3)10-13(12)20(23)19(22)17(11)18/h6-10H,1-5H3/q+1
InChIKey
BDQBGZROAQOXHZ-UHFFFAOYSA-N
Compound name
4,5,15,16-tetramethoxy-10-methyl-10-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

182
Patents

366.13416 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.14144 189.8
[M+Na]+ 389.12338 200.5
[M-H]- 365.12688 195.2
[M+NH4]+ 384.16798 204.5
[M+K]+ 405.09732 191.7
[M+H-H2O]+ 349.13142 182.8
[M+HCOO]- 411.13236 206.6
[M+CH3COO]- 425.14801 217.0
[M+Na-2H]- 387.10883 196.9
[M]+ 366.13361 198.7
[M]- 366.13471 198.7
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.