CID 5281846

Heliparvifoline

Structural Information

Molecular Formula
C13H11NO4
SMILES
COC1=C2C=COC2=NC3=C1C=CC(=C3OC)O
InChI
InChI=1S/C13H11NO4/c1-16-11-7-3-4-9(15)12(17-2)10(7)14-13-8(11)5-6-18-13/h3-6,15H,1-2H3
InChIKey
LJKPBWHZRNQEMO-UHFFFAOYSA-N
Compound name
4,8-dimethoxyfuro[2,3-b]quinolin-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

32
Patents

245.0688 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.07608 149.4
[M+Na]+ 268.05802 161.9
[M-H]- 244.06152 154.5
[M+NH4]+ 263.10262 168.2
[M+K]+ 284.03196 159.8
[M+H-H2O]+ 228.06606 143.2
[M+HCOO]- 290.06700 171.6
[M+CH3COO]- 304.08265 163.8
[M+Na-2H]- 266.04347 157.6
[M]+ 245.06825 157.1
[M]- 245.06935 157.1
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