CID 6481046

Benzamide, 5-chloro-2-hydroxy-n-pyrazinyl-

Structural Information

Molecular Formula
C11H8ClN3O2
SMILES
C1=CC(=C(C=C1Cl)C(=O)NC2=NC=CN=C2)O
InChI
InChI=1S/C11H8ClN3O2/c12-7-1-2-9(16)8(5-7)11(17)15-10-6-13-3-4-14-10/h1-6,16H,(H,14,15,17)
InChIKey
BQDFLNWCTZAAFJ-UHFFFAOYSA-N
Compound name
5-chloro-2-hydroxy-N-pyrazin-2-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

249.0305 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.037776 150.7
[M+Na]+ 272.019718 159.9
[M-H]- 248.023224 153.8
[M+NH4]+ 267.064323 164.9
[M+K]+ 287.993658 154.6
[M+H-H2O]+ 232.027760 142.8
[M+HCOO]- 294.028701 168.0
[M+CH3COO]- 308.044351 190.3
[M+Na-2H]- 270.005166 157.4
[M]+ 249.02995142 151.5
[M]- 249.03104858 151.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe