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-methoxypyridin-3-yl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

33
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

literature stripe

Patent stripe

patents stripe