CID 478007

Methyl 5-(2-hydroxybenzoyl)pyrazine-2-carboxylate

Structural Information

Molecular Formula
C13H10N2O4
SMILES
COC(=O)C1=NC=C(N=C1)C(=O)C2=CC=CC=C2O
InChI
InChI=1S/C13H10N2O4/c1-19-13(18)10-7-14-9(6-15-10)12(17)8-4-2-3-5-11(8)16/h2-7,16H,1H3
InChIKey
DYZSLRNLIBJNPN-UHFFFAOYSA-N
Compound name
methyl 5-(2-hydroxybenzoyl)pyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.06406 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07134 154.8
[M+Na]+ 281.05328 163.0
[M-H]- 257.05678 158.1
[M+NH4]+ 276.09788 167.8
[M+K]+ 297.02722 160.2
[M+H-H2O]+ 241.06132 146.1
[M+HCOO]- 303.06226 174.6
[M+CH3COO]- 317.07791 192.0
[M+Na-2H]- 279.03873 159.4
[M]+ 258.06351 156.4
[M]- 258.06461 156.4
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.