CID 135541410

N-(5-bromo-2-hydroxy-phenyl)-5-tert-butyl-pyrazine-2-carboxamide

Structural Information

Molecular Formula
C15H16BrN3O2
SMILES
CC(C)(C)C1=NC=C(N=C1)C(=O)NC2=C(C=CC(=C2)Br)O
InChI
InChI=1S/C15H16BrN3O2/c1-15(2,3)13-8-17-11(7-18-13)14(21)19-10-6-9(16)4-5-12(10)20/h4-8,20H,1-3H3,(H,19,21)
InChIKey
GVRFZZCCMNOMBP-UHFFFAOYSA-N
Compound name
N-(5-bromo-2-hydroxyphenyl)-5-tert-butylpyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.0426 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.049876 172.0
[M+Na]+ 372.031818 182.4
[M-H]- 348.035324 177.8
[M+NH4]+ 367.076423 185.7
[M+K]+ 388.005758 170.0
[M+H-H2O]+ 332.039860 169.7
[M+HCOO]- 394.040801 188.6
[M+CH3COO]- 408.056451 208.2
[M+Na-2H]- 370.017266 178.0
[M]+ 349.04205142 190.5
[M]- 349.04314858 190.5
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.