CID 868966

Methyl 2-(pyrazine-2-amido)benzoate

Structural Information

Molecular Formula
C13H11N3O3
SMILES
COC(=O)C1=CC=CC=C1NC(=O)C2=NC=CN=C2
InChI
InChI=1S/C13H11N3O3/c1-19-13(18)9-4-2-3-5-10(9)16-12(17)11-8-14-6-7-15-11/h2-8H,1H3,(H,16,17)
InChIKey
CNOOGAXMMZRSAF-UHFFFAOYSA-N
Compound name
methyl 2-(pyrazine-2-carbonylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.08005 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.087326 156.0
[M+Na]+ 280.069268 163.0
[M-H]- 256.072774 160.2
[M+NH4]+ 275.113873 169.2
[M+K]+ 296.043208 160.3
[M+H-H2O]+ 240.077310 146.6
[M+HCOO]- 302.078251 178.1
[M+CH3COO]- 316.093901 195.4
[M+Na-2H]- 278.054716 162.2
[M]+ 257.07950142 156.8
[M]- 257.08059858 156.8
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.