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]+ 350.04988 172.0
[M+Na]+ 372.03182 182.4
[M-H]- 348.03532 177.8
[M+NH4]+ 367.07642 185.7
[M+K]+ 388.00576 170.0
[M+H-H2O]+ 332.03986 169.7
[M+HCOO]- 394.04080 188.6
[M+CH3COO]- 408.05645 208.2
[M+Na-2H]- 370.01727 178.0
[M]+ 349.04205 190.5
[M]- 349.04315 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.