CID 478008

5-(2-hydroxybenzoyl)pyrazine-2-carboxamide

Structural Information

Molecular Formula
C12H9N3O3
SMILES
C1=CC=C(C(=C1)C(=O)C2=CN=C(C=N2)C(=O)N)O
InChI
InChI=1S/C12H9N3O3/c13-12(18)9-6-14-8(5-15-9)11(17)7-3-1-2-4-10(7)16/h1-6,16H,(H2,13,18)
InChIKey
YZZAWIVTRCQQQH-UHFFFAOYSA-N
Compound name
5-(2-hydroxybenzoyl)pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

243.06439 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.07167 152.1
[M+Na]+ 266.05361 159.9
[M-H]- 242.05711 154.9
[M+NH4]+ 261.09821 165.1
[M+K]+ 282.02755 156.3
[M+H-H2O]+ 226.06165 143.4
[M+HCOO]- 288.06259 172.4
[M+CH3COO]- 302.07824 192.0
[M+Na-2H]- 264.03906 156.5
[M]+ 243.06384 150.3
[M]- 243.06494 150.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.