CID 6760

Skimmianine

Structural Information

Molecular Formula
C14H13NO4
SMILES
COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)OC
InChI
InChI=1S/C14H13NO4/c1-16-10-5-4-8-11(13(10)18-3)15-14-9(6-7-19-14)12(8)17-2/h4-7H,1-3H3
InChIKey
SLSIBLKBHNKZTB-UHFFFAOYSA-N
Compound name
4,7,8-trimethoxyfuro[2,3-b]quinoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

59
References

343
Patents

259.08447 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.09175 153.9
[M+Na]+ 282.07369 166.4
[M-H]- 258.07719 160.3
[M+NH4]+ 277.11829 172.9
[M+K]+ 298.04763 164.9
[M+H-H2O]+ 242.08173 147.3
[M+HCOO]- 304.08267 177.3
[M+CH3COO]- 318.09832 196.7
[M+Na-2H]- 280.05914 161.9
[M]+ 259.08392 163.8
[M]- 259.08502 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