CID 10227

Kokusaginine

Structural Information

Molecular Formula
C14H13NO4
SMILES
COC1=C(C=C2C(=C1)C(=C3C=COC3=N2)OC)OC
InChI
InChI=1S/C14H13NO4/c1-16-11-6-9-10(7-12(11)17-2)15-14-8(4-5-19-14)13(9)18-3/h4-7H,1-3H3
InChIKey
JBRXRVFXQIKPEA-UHFFFAOYSA-N
Compound name
4,6,7-trimethoxyfuro[2,3-b]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

40
Patents

259.08447 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.091746 153.9
[M+Na]+ 282.073688 166.4
[M-H]- 258.077194 160.3
[M+NH4]+ 277.118293 172.9
[M+K]+ 298.047628 164.9
[M+H-H2O]+ 242.081730 147.3
[M+HCOO]- 304.082671 177.3
[M+CH3COO]- 318.098321 196.7
[M+Na-2H]- 280.059136 161.9
[M]+ 259.08392142 163.8
[M]- 259.08501858 163.8
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