CID 71068

1245-13-2

Structural Information

Molecular Formula
C20H12N2O4
SMILES
C1=CC=C2C(=C1)C(=CC(=N2)C3=NC4=CC=CC=C4C(=C3)C(=O)O)C(=O)O
InChI
InChI=1S/C20H12N2O4/c23-19(24)13-9-17(21-15-7-3-1-5-11(13)15)18-10-14(20(25)26)12-6-2-4-8-16(12)22-18/h1-10H,(H,23,24)(H,25,26)
InChIKey
AFYNADDZULBEJA-UHFFFAOYSA-N
Compound name
2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1531
References

31952
Patents

344.0797 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.086976 178.2
[M+Na]+ 367.068918 187.6
[M-H]- 343.072424 182.2
[M+NH4]+ 362.113523 188.7
[M+K]+ 383.042858 181.5
[M+H-H2O]+ 327.076960 168.2
[M+HCOO]- 389.077901 194.3
[M+CH3COO]- 403.093551 188.0
[M+Na-2H]- 365.054366 184.4
[M]+ 344.07915142 179.9
[M]- 344.08024858 179.9
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