CID 3071552

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

Structural Information

Molecular Formula
C15H15N3O3
SMILES
CC1=NC(=C(C=C1C(=O)O)C(=O)N)NCC2=CC=CC=C2
InChI
InChI=1S/C15H15N3O3/c1-9-11(15(20)21)7-12(13(16)19)14(18-9)17-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,16,19)(H,17,18)(H,20,21)
InChIKey
IDDQFZXYYDCHMG-UHFFFAOYSA-N
Compound name
6-(benzylamino)-5-carbamoyl-2-methylpyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.11133 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.11861 165.8
[M+Na]+ 308.10055 176.8
[M+NH4]+ 303.14515 171.2
[M+K]+ 324.07449 172.2
[M-H]- 284.10405 168.5
[M+Na-2H]- 306.08600 172.0
[M]+ 285.11078 167.7
[M]- 285.11188 167.7
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.