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

49
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 181.6
[M+Na]+ 374.09992 192.4
[M-H]- 350.10342 186.7
[M+NH4]+ 369.14452 197.1
[M+K]+ 390.07386 189.2
[M+H-H2O]+ 334.10796 172.1
[M+HCOO]- 396.10890 199.4
[M+CH3COO]- 410.12455 219.7
[M+Na-2H]- 372.08537 187.7
[M]+ 351.11015 191.1
[M]- 351.11125 191.1
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.