CID 490047

8-iodo-3,4-dimethyl-furo[3,2-c]quinoline-2-carboxylic acid

Structural Information

Molecular Formula
C14H10INO3
SMILES
CC1=C(OC2=C3C=C(C=CC3=NC(=C12)C)I)C(=O)O
InChI
InChI=1S/C14H10INO3/c1-6-11-7(2)16-10-4-3-8(15)5-9(10)13(11)19-12(6)14(17)18/h3-5H,1-2H3,(H,17,18)
InChIKey
GLLUFDYIQYARQM-UHFFFAOYSA-N
Compound name
8-iodo-3,4-dimethylfuro[3,2-c]quinoline-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.97055 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.97783 159.3
[M+Na]+ 389.95977 164.6
[M-H]- 365.96327 157.2
[M+NH4]+ 385.00437 172.7
[M+K]+ 405.93371 167.2
[M+H-H2O]+ 349.96781 149.8
[M+HCOO]- 411.96875 174.8
[M+CH3COO]- 425.98440 168.7
[M+Na-2H]- 387.94522 153.1
[M]+ 366.97000 162.1
[M]- 366.97110 162.1
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

No patent data available for this compound.