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-chloropyridin-2-yl)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]+ 292.04836 161.5
[M+Na]+ 314.03030 168.9
[M-H]- 290.03380 166.0
[M+NH4]+ 309.07490 175.0
[M+K]+ 330.00424 164.1
[M+H-H2O]+ 274.03834 154.0
[M+HCOO]- 336.03928 180.1
[M+CH3COO]- 350.05493 200.4
[M+Na-2H]- 312.01575 166.4
[M]+ 291.04053 162.1
[M]- 291.04163 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.