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-bromopyridin-3-yl)-3-methylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

255.00072 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.00800 146.2
[M+Na]+ 277.98994 159.1
[M-H]- 253.99344 152.1
[M+NH4]+ 273.03454 165.2
[M+K]+ 293.96388 148.1
[M+H-H2O]+ 237.99798 144.8
[M+HCOO]- 299.99892 164.6
[M+CH3COO]- 314.01457 190.4
[M+Na-2H]- 275.97539 151.4
[M]+ 255.00017 163.8
[M]- 255.00127 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