CID 230606

6265-23-2

Structural Information

Molecular Formula
C20H13NO2
SMILES
C1=CC=C2C(=C1)C=CC=C2C3=NC4=CC=CC=C4C(=C3)C(=O)O
InChI
InChI=1S/C20H13NO2/c22-20(23)17-12-19(21-18-11-4-3-9-16(17)18)15-10-5-7-13-6-1-2-8-14(13)15/h1-12H,(H,22,23)
InChIKey
BALYMJPYABUHGF-UHFFFAOYSA-N
Compound name
2-naphthalen-1-ylquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

299.09464 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.10192 168.2
[M+Na]+ 322.08386 177.9
[M-H]- 298.08736 174.5
[M+NH4]+ 317.12846 182.9
[M+K]+ 338.05780 171.2
[M+H-H2O]+ 282.09190 158.8
[M+HCOO]- 344.09284 187.9
[M+CH3COO]- 358.10849 179.6
[M+Na-2H]- 320.06931 176.4
[M]+ 299.09409 169.2
[M]- 299.09519 169.2
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.