CID 46738999

N-(5-amino-3-bromopyridin-2-yl)acetamide

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 140.6
[M+Na]+ 251.97430 142.5
[M+NH4]+ 247.01890 144.4
[M+K]+ 267.94824 143.7
[M-H]- 227.97780 141.0
[M+Na-2H]- 249.95975 143.5
[M]+ 228.98453 139.5
[M]- 228.98563 139.5
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

patents stripe