CID 6481041

5-bromo-2-hydroxy-n-pyrazin-2-yl-benzamide

Structural Information

Molecular Formula
C11H8BrN3O2
SMILES
C1=CC(=C(C=C1Br)C(=O)NC2=NC=CN=C2)O
InChI
InChI=1S/C11H8BrN3O2/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
ZQJAHZWVEUMNHN-UHFFFAOYSA-N
Compound name
5-bromo-2-hydroxy-N-pyrazin-2-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

292.97998 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.98726 152.4
[M+Na]+ 315.96920 163.3
[M-H]- 291.97270 158.1
[M+NH4]+ 311.01380 167.8
[M+K]+ 331.94314 151.2
[M+H-H2O]+ 275.97724 150.1
[M+HCOO]- 337.97818 171.8
[M+CH3COO]- 351.99383 196.1
[M+Na-2H]- 313.95465 160.5
[M]+ 292.97943 169.8
[M]- 292.98053 169.8
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

No patent data available for this compound.