CID 3039083

Brn 0811231

Structural Information

Molecular Formula
C14H13N3O3
SMILES
CC1=CC=C(C=C1)C(=O)C(NC(=O)C2=NC=CN=C2)O
InChI
InChI=1S/C14H13N3O3/c1-9-2-4-10(5-3-9)12(18)14(20)17-13(19)11-8-15-6-7-16-11/h2-8,14,20H,1H3,(H,17,19)
InChIKey
UYNNUWORRGSNAB-UHFFFAOYSA-N
Compound name
N-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.0957 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.102976 160.4
[M+Na]+ 294.084918 166.2
[M-H]- 270.088424 163.2
[M+NH4]+ 289.129523 172.2
[M+K]+ 310.058858 163.0
[M+H-H2O]+ 254.092960 151.3
[M+HCOO]- 316.093901 179.7
[M+CH3COO]- 330.109551 197.6
[M+Na-2H]- 292.070366 164.6
[M]+ 271.09515142 159.3
[M]- 271.09624858 159.3
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.