CID 682378

2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxylic acid

Structural Information

Molecular Formula
C18H13NO4
SMILES
C1COC2=C(O1)C=CC(=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)O
InChI
InChI=1S/C18H13NO4/c20-18(21)13-10-15(19-14-4-2-1-3-12(13)14)11-5-6-16-17(9-11)23-8-7-22-16/h1-6,9-10H,7-8H2,(H,20,21)
InChIKey
ICBSLSGMOTUPAX-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

307.08447 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.09175 168.9
[M+Na]+ 330.07369 185.1
[M+NH4]+ 325.11829 177.3
[M+K]+ 346.04763 178.2
[M-H]- 306.07719 176.0
[M+Na-2H]- 328.05914 175.5
[M]+ 307.08392 173.4
[M]- 307.08502 173.4
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