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]+ 292.04836 160.3
[M+Na]+ 314.03030 167.2
[M-H]- 290.03380 163.1
[M+NH4]+ 309.07490 172.2
[M+K]+ 330.00424 162.7
[M+H-H2O]+ 274.03834 152.0
[M+HCOO]- 336.03928 175.4
[M+CH3COO]- 350.05493 198.3
[M+Na-2H]- 312.01575 164.7
[M]+ 291.04053 161.1
[M]- 291.04163 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.