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 168.0
[M+Na]+ 324.09548 175.1
[M-H]- 300.09898 172.4
[M+NH4]+ 319.14008 180.1
[M+K]+ 340.06942 172.2
[M+H-H2O]+ 284.10352 159.3
[M+HCOO]- 346.10446 189.8
[M+CH3COO]- 360.12011 208.5
[M+Na-2H]- 322.08093 169.8
[M]+ 301.10571 168.3
[M]- 301.10681 168.3
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.