CID 138756834

1-(5-bromopyridin-3-yl)-3-methylimidazolidin-2-one

Structural Information

Molecular Formula
C9H10BrN3O
SMILES
CN1CCN(C1=O)C2=CC(=CN=C2)Br
InChI
InChI=1S/C9H10BrN3O/c1-12-2-3-13(9(12)14)8-4-7(10)5-11-6-8/h4-6H,2-3H2,1H3
InChIKey
QDLQLZGPNAKVLO-UHFFFAOYSA-N
Compound name
1-(5-bromo-3-pyridinyl)-3-methylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

255.00072 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.007996 146.2
[M+Na]+ 277.989938 159.1
[M-H]- 253.993444 152.1
[M+NH4]+ 273.034543 165.2
[M+K]+ 293.963878 148.1
[M+H-H2O]+ 237.997980 144.8
[M+HCOO]- 299.998921 164.6
[M+CH3COO]- 314.014571 190.4
[M+Na-2H]- 275.975386 151.4
[M]+ 255.00017142 163.8
[M]- 255.00126858 163.8
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