CID 3077603

3-pyridinecarboxylic acid, 5-(aminocarbonyl)-6-((4-bromophenyl)amino)-2-methyl-, sodium salt

Structural Information

Molecular Formula
C14H12BrN3O3
SMILES
CC1=NC(=C(C=C1C(=O)O)C(=O)N)NC2=CC=C(C=C2)Br
InChI
InChI=1S/C14H12BrN3O3/c1-7-10(14(20)21)6-11(12(16)19)13(17-7)18-9-4-2-8(15)3-5-9/h2-6H,1H3,(H2,16,19)(H,17,18)(H,20,21)
InChIKey
URLKHBHAOPUFQI-UHFFFAOYSA-N
Compound name
6-(4-bromoanilino)-5-carbamoyl-2-methylpyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

349.0062 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.01348 169.0
[M+Na]+ 371.99542 171.2
[M+NH4]+ 367.04002 171.2
[M+K]+ 387.96936 172.6
[M-H]- 347.99892 170.0
[M+Na-2H]- 369.98087 171.7
[M]+ 349.00565 168.1
[M]- 349.00675 168.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No patent data available for this compound.