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 165.4
[M+Na]+ 308.10055 172.8
[M-H]- 284.10405 169.9
[M+NH4]+ 303.14515 178.3
[M+K]+ 324.07449 169.1
[M+H-H2O]+ 268.10859 157.1
[M+HCOO]- 330.10953 187.0
[M+CH3COO]- 344.12518 206.2
[M+Na-2H]- 306.08600 167.1
[M]+ 285.11078 164.3
[M]- 285.11188 164.3
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.