CID 490054

Furo[3,2-c]quinoline-2-carboxylic acid, 3-hydroxy-8-iodo-4-methyl-, ethyl ester

Structural Information

Molecular Formula
C15H12INO4
SMILES
CCOC(=O)C1=C(C2=C(N=C3C=CC(=CC3=C2O1)I)C)O
InChI
InChI=1S/C15H12INO4/c1-3-20-15(19)14-12(18)11-7(2)17-10-5-4-8(16)6-9(10)13(11)21-14/h4-6,18H,3H2,1-2H3
InChIKey
BHOYDFMKUCCIIQ-UHFFFAOYSA-N
Compound name
ethyl 3-hydroxy-8-iodo-4-methylfuro[3,2-c]quinoline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

396.9811 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.98838 168.7
[M+Na]+ 419.97032 173.4
[M-H]- 395.97382 166.4
[M+NH4]+ 415.01492 180.8
[M+K]+ 435.94426 176.4
[M+H-H2O]+ 379.97836 158.7
[M+HCOO]- 441.97930 183.9
[M+CH3COO]- 455.99495 208.2
[M+Na-2H]- 417.95577 161.9
[M]+ 396.98055 173.0
[M]- 396.98165 173.0
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

No patent data available for this compound.