CID 3077597

134828-49-2

Structural Information

Molecular Formula
C15H15N3O4
SMILES
CC1=NC(=C(C=C1C(=O)O)C(=O)N)NC2=CC=CC=C2OC
InChI
InChI=1S/C15H15N3O4/c1-8-9(15(20)21)7-10(13(16)19)14(17-8)18-11-5-3-4-6-12(11)22-2/h3-7H,1-2H3,(H2,16,19)(H,17,18)(H,20,21)
InChIKey
OBPCEZTXLWURNL-UHFFFAOYSA-N
Compound name
5-carbamoyl-6-(2-methoxyanilino)-2-methylpyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.10626 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.11354 168.8
[M+Na]+ 324.09548 179.8
[M+NH4]+ 319.14008 173.7
[M+K]+ 340.06942 175.8
[M-H]- 300.09898 171.1
[M+Na-2H]- 322.08093 174.3
[M]+ 301.10571 170.6
[M]- 301.10681 170.6
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.