CID 46738999

2-acetamido-5-amino-3-bromopyridine

Structural Information

Molecular Formula
C7H8BrN3O
SMILES
CC(=O)NC1=C(C=C(C=N1)N)Br
InChI
InChI=1S/C7H8BrN3O/c1-4(12)11-7-6(8)2-5(9)3-10-7/h2-3H,9H2,1H3,(H,10,11,12)
InChIKey
PLNRSPZYYCMLTP-UHFFFAOYSA-N
Compound name
N-(5-amino-3-bromo-2-pyridinyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

228.98508 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.992356 138.6
[M+Na]+ 251.974298 149.8
[M-H]- 227.977804 143.6
[M+NH4]+ 247.018903 158.3
[M+K]+ 267.948238 138.5
[M+H-H2O]+ 211.982340 137.0
[M+HCOO]- 273.983281 160.6
[M+CH3COO]- 287.998931 190.7
[M+Na-2H]- 249.959746 145.7
[M]+ 228.98453142 155.0
[M]- 228.98562858 155.0
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

patents stripe