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 163.4
[M+Na]+ 310.07982 174.4
[M+NH4]+ 305.12442 168.2
[M+K]+ 326.05376 170.7
[M-H]- 286.08332 164.4
[M+Na-2H]- 308.06527 170.0
[M]+ 287.09005 164.8
[M]- 287.09115 164.8
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.