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

10
Patents

229.96909 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.97637 136.4
[M+Na]+ 252.95831 148.2
[M-H]- 228.96181 140.6
[M+NH4]+ 248.00291 155.9
[M+K]+ 268.93225 136.6
[M+H-H2O]+ 212.96635 135.6
[M+HCOO]- 274.96729 157.0
[M+CH3COO]- 288.98294 185.4
[M+Na-2H]- 250.94376 143.8
[M]+ 229.96854 153.5
[M]- 229.96964 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