CID 3039082

42177-47-9

Structural Information

Molecular Formula
C13H11N3O3
SMILES
C1=CC=C(C=C1)C(=O)C(NC(=O)C2=NC=CN=C2)O
InChI
InChI=1S/C13H11N3O3/c17-11(9-4-2-1-3-5-9)13(19)16-12(18)10-8-14-6-7-15-10/h1-8,13,19H,(H,16,18)
InChIKey
JRMGSKHNOLYDRL-UHFFFAOYSA-N
Compound name
N-(1-hydroxy-2-oxo-2-phenylethyl)pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.08005 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.087326 155.7
[M+Na]+ 280.069268 160.9
[M-H]- 256.072774 158.2
[M+NH4]+ 275.113873 167.8
[M+K]+ 296.043208 158.0
[M+H-H2O]+ 240.077310 146.5
[M+HCOO]- 302.078251 175.4
[M+CH3COO]- 316.093901 193.4
[M+Na-2H]- 278.054716 161.1
[M]+ 257.07950142 153.8
[M]- 257.08059858 153.8
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.