CID 97662

Oxoglaucine

Structural Information

Molecular Formula
C20H17NO5
SMILES
COC1=C(C2=C3C(=C1)C=CN=C3C(=O)C4=CC(=C(C=C42)OC)OC)OC
InChI
InChI=1S/C20H17NO5/c1-23-13-8-11-12(9-14(13)24-2)19(22)18-16-10(5-6-21-18)7-15(25-3)20(26-4)17(11)16/h5-9H,1-4H3
InChIKey
ZYKCETVKVRJFGD-UHFFFAOYSA-N
Compound name
4,5,15,16-tetramethoxy-10-azatetracyclo[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
2
Annotation Hits

29
References

52
Patents

351.1107 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.11798 180.9
[M+Na]+ 374.09992 197.6
[M+NH4]+ 369.14452 189.2
[M+K]+ 390.07386 189.4
[M-H]- 350.10342 183.9
[M+Na-2H]- 372.08537 185.3
[M]+ 351.11015 184.3
[M]- 351.11125 184.3
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

patents stripe