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-bromopyridin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

228.98508 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.99236 138.6
[M+Na]+ 251.97430 149.8
[M-H]- 227.97780 143.6
[M+NH4]+ 247.01890 158.3
[M+K]+ 267.94824 138.5
[M+H-H2O]+ 211.98234 137.0
[M+HCOO]- 273.98328 160.6
[M+CH3COO]- 287.99893 190.7
[M+Na-2H]- 249.95975 145.7
[M]+ 228.98453 155.0
[M]- 228.98563 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