CID 135541411

N-(5-bromo-2-hydroxy-phenyl)-5-tert-butyl-6-chloro-pyrazine-2-carboxamide

Structural Information

Molecular Formula
C15H15BrClN3O2
SMILES
CC(C)(C)C1=NC=C(N=C1Cl)C(=O)NC2=C(C=CC(=C2)Br)O
InChI
InChI=1S/C15H15BrClN3O2/c1-15(2,3)12-13(17)19-10(7-18-12)14(22)20-9-6-8(16)4-5-11(9)21/h4-7,21H,1-3H3,(H,20,22)
InChIKey
YQENQANAEMBJAB-UHFFFAOYSA-N
Compound name
N-(5-bromo-2-hydroxyphenyl)-5-tert-butyl-6-chloropyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

383.00363 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.01091 176.3
[M+Na]+ 405.99285 188.4
[M-H]- 381.99635 182.3
[M+NH4]+ 401.03745 189.8
[M+K]+ 421.96679 174.4
[M+H-H2O]+ 366.00089 174.6
[M+HCOO]- 428.00183 188.4
[M+CH3COO]- 442.01748 212.8
[M+Na-2H]- 403.97830 181.3
[M]+ 383.00308 197.0
[M]- 383.00418 197.0
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.