CID 3039085

Brn 0815413

Structural Information

Molecular Formula
C13H10ClN3O3
SMILES
C1=CC(=CC=C1C(=O)C(NC(=O)C2=NC=CN=C2)O)Cl
InChI
InChI=1S/C13H10ClN3O3/c14-9-3-1-8(2-4-9)11(18)13(20)17-12(19)10-7-15-5-6-16-10/h1-7,13,20H,(H,17,19)
InChIKey
XDESPVYZKPYQBB-UHFFFAOYSA-N
Compound name
N-[2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.04108 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.048356 160.3
[M+Na]+ 314.030298 167.2
[M-H]- 290.033804 163.1
[M+NH4]+ 309.074903 172.2
[M+K]+ 330.004238 162.7
[M+H-H2O]+ 274.038340 152.0
[M+HCOO]- 336.039281 175.4
[M+CH3COO]- 350.054931 198.3
[M+Na-2H]- 312.015746 164.7
[M]+ 291.04053142 161.1
[M]- 291.04162858 161.1
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.