CID 3039084

Brn 0825920

Structural Information

Molecular Formula
C14H13N3O4
SMILES
COC1=CC=C(C=C1)C(=O)C(NC(=O)C2=NC=CN=C2)O
InChI
InChI=1S/C14H13N3O4/c1-21-10-4-2-9(3-5-10)12(18)14(20)17-13(19)11-8-15-6-7-16-11/h2-8,14,20H,1H3,(H,17,19)
InChIKey
WAJBONIXHLMSAK-UHFFFAOYSA-N
Compound name
N-[1-hydroxy-2-(4-methoxyphenyl)-2-oxoethyl]pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.0906 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.09788 163.0
[M+Na]+ 310.07982 168.5
[M-H]- 286.08332 165.7
[M+NH4]+ 305.12442 174.0
[M+K]+ 326.05376 166.0
[M+H-H2O]+ 270.08786 153.5
[M+HCOO]- 332.08880 182.4
[M+CH3COO]- 346.10445 199.8
[M+Na-2H]- 308.06527 167.2
[M]+ 287.09005 163.2
[M]- 287.09115 163.2
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.