CID 3077601

3-pyridinecarboxylic acid, 5-(aminocarbonyl)-2-methyl-6-((3-methylphenyl)amino)-, monosodium salt

Structural Information

Molecular Formula
C15H15N3O3
SMILES
CC1=CC(=CC=C1)NC2=C(C=C(C(=N2)C)C(=O)O)C(=O)N
InChI
InChI=1S/C15H15N3O3/c1-8-4-3-5-10(6-8)18-14-12(13(16)19)7-11(15(20)21)9(2)17-14/h3-7H,1-2H3,(H2,16,19)(H,17,18)(H,20,21)
InChIKey
YGRYLSIBZKKADT-UHFFFAOYSA-N
Compound name
5-carbamoyl-2-methyl-6-(3-methylanilino)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.11133 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.11861 165.9
[M+Na]+ 308.10055 177.4
[M+NH4]+ 303.14515 171.4
[M+K]+ 324.07449 172.9
[M-H]- 284.10405 168.7
[M+Na-2H]- 306.08600 171.9
[M]+ 285.11078 168.0
[M]- 285.11188 168.0
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 literature data available for this compound.

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No patent data available for this compound.