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]+ 258.08733 156.0
[M+Na]+ 280.06927 163.0
[M-H]- 256.07277 160.2
[M+NH4]+ 275.11387 169.2
[M+K]+ 296.04321 160.3
[M+H-H2O]+ 240.07731 146.6
[M+HCOO]- 302.07825 178.1
[M+CH3COO]- 316.09390 195.4
[M+Na-2H]- 278.05472 162.2
[M]+ 257.07950 156.8
[M]- 257.08060 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.