CID 24851361

N-(5-bromo-6-oxo-1,6-dihydropyridin-2-yl)acetamide

Structural Information

Molecular Formula
C7H7BrN2O2
SMILES
CC(=O)NC1=CC=C(C(=O)N1)Br
InChI
InChI=1S/C7H7BrN2O2/c1-4(11)9-6-3-2-5(8)7(12)10-6/h2-3H,1H3,(H2,9,10,11,12)
InChIKey
KRSUCCLWLDMPOB-UHFFFAOYSA-N
Compound name
N-(5-bromo-6-oxo-1H-pyridin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

229.96909 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.976366 136.4
[M+Na]+ 252.958308 148.2
[M-H]- 228.961814 140.6
[M+NH4]+ 248.002913 155.9
[M+K]+ 268.932248 136.6
[M+H-H2O]+ 212.966350 135.6
[M+HCOO]- 274.967291 157.0
[M+CH3COO]- 288.982941 185.4
[M+Na-2H]- 250.943756 143.8
[M]+ 229.96854142 153.5
[M]- 229.96963858 153.5
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