CID 177800414

2-(3-bromo-2-oxo-1,2-dihydropyridin-1-yl)ethanimidamide hydrochloride

Structural Information

Molecular Formula
C7H8BrN3O
SMILES
C1=CN(C(=O)C(=C1)Br)CC(=N)N
InChI
InChI=1S/C7H8BrN3O/c8-5-2-1-3-11(7(5)12)4-6(9)10/h1-3H,4H2,(H3,9,10)
InChIKey
LDRUBFBRGXBIJW-UHFFFAOYSA-N
Compound name
2-(3-bromo-2-oxo-1-pyridinyl)ethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.98508 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.992356 137.3
[M+Na]+ 251.974298 148.7
[M-H]- 227.977804 142.2
[M+NH4]+ 247.018903 156.9
[M+K]+ 267.948238 136.8
[M+H-H2O]+ 211.982340 135.7
[M+HCOO]- 273.983281 159.5
[M+CH3COO]- 287.998931 190.6
[M+Na-2H]- 249.959746 144.4
[M]+ 228.98453142 153.2
[M]- 228.98562858 153.2
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

No patent data available for this compound.