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]+ 272.10298 160.4
[M+Na]+ 294.08492 166.2
[M-H]- 270.08842 163.2
[M+NH4]+ 289.12952 172.2
[M+K]+ 310.05886 163.0
[M+H-H2O]+ 254.09296 151.3
[M+HCOO]- 316.09390 179.7
[M+CH3COO]- 330.10955 197.6
[M+Na-2H]- 292.07037 164.6
[M]+ 271.09515 159.3
[M]- 271.09625 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.