CID 39870991

2-{[(5-chloropyridin-2-yl)carbamoyl]amino}benzoic acid

Structural Information

Molecular Formula
C13H10ClN3O3
SMILES
C1=CC=C(C(=C1)C(=O)O)NC(=O)NC2=NC=C(C=C2)Cl
InChI
InChI=1S/C13H10ClN3O3/c14-8-5-6-11(15-7-8)17-13(20)16-10-4-2-1-3-9(10)12(18)19/h1-7H,(H,18,19)(H2,15,16,17,20)
InChIKey
HUKQKKQZFDOPKN-UHFFFAOYSA-N
Compound name
2-[(5-chloro-2-pyridinyl)carbamoylamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.04108 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.048356 161.5
[M+Na]+ 314.030298 168.9
[M-H]- 290.033804 166.0
[M+NH4]+ 309.074903 175.0
[M+K]+ 330.004238 164.1
[M+H-H2O]+ 274.038340 154.0
[M+HCOO]- 336.039281 180.1
[M+CH3COO]- 350.054931 200.4
[M+Na-2H]- 312.015746 166.4
[M]+ 291.04053142 162.1
[M]- 291.04162858 162.1
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.