CID 246783

4-chloro-n-(6-methoxy-3-pyridyl)anthranilic acid

Structural Information

Molecular Formula
C13H11ClN2O3
SMILES
COC1=NC=C(C=C1)NC2=C(C=CC(=C2)Cl)C(=O)O
InChI
InChI=1S/C13H11ClN2O3/c1-19-12-5-3-9(7-15-12)16-11-6-8(14)2-4-10(11)13(17)18/h2-7,16H,1H3,(H,17,18)
InChIKey
UYMKSOUAEXWFOT-UHFFFAOYSA-N
Compound name
4-chloro-2-[(6-methoxy-3-pyridinyl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

34
Patents

278.0458 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.05308 158.1
[M+Na]+ 301.03502 167.1
[M-H]- 277.03852 162.7
[M+NH4]+ 296.07962 172.7
[M+K]+ 317.00896 162.3
[M+H-H2O]+ 261.04306 150.8
[M+HCOO]- 323.04400 176.3
[M+CH3COO]- 337.05965 197.6
[M+Na-2H]- 299.02047 163.0
[M]+ 278.04525 161.1
[M]- 278.04635 161.1
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.