CID 56960912

Cavosonstat

Structural Information

Molecular Formula
C16H10ClNO3
SMILES
C1=CC(=C(C=C1C(=O)O)Cl)C2=NC3=C(C=C2)C=C(C=C3)O
InChI
InChI=1S/C16H10ClNO3/c17-13-8-10(16(20)21)1-4-12(13)15-5-2-9-7-11(19)3-6-14(9)18-15/h1-8,19H,(H,20,21)
InChIKey
BXSZILNGNMDGSL-UHFFFAOYSA-N
Compound name
3-chloro-4-(6-hydroxyquinolin-2-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

305
Patents

299.0349 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.04218 163.2
[M+Na]+ 322.02412 173.7
[M-H]- 298.02762 167.6
[M+NH4]+ 317.06872 177.7
[M+K]+ 337.99806 167.1
[M+H-H2O]+ 282.03216 156.2
[M+HCOO]- 344.03310 177.6
[M+CH3COO]- 358.04875 174.8
[M+Na-2H]- 320.00957 168.2
[M]+ 299.03435 165.5
[M]- 299.03545 165.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.