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

295
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 164.6
[M+Na]+ 322.02412 181.5
[M+NH4]+ 317.06872 172.9
[M+K]+ 337.99806 173.6
[M-H]- 298.02762 168.4
[M+Na-2H]- 320.00957 173.0
[M]+ 299.03435 168.5
[M]- 299.03545 168.5
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