CID 84317757

1-benzyl-3-bromo-5-methyl-1,2-dihydropyridin-2-one

Structural Information

Molecular Formula
C13H12BrNO
SMILES
CC1=CN(C(=O)C(=C1)Br)CC2=CC=CC=C2
InChI
InChI=1S/C13H12BrNO/c1-10-7-12(14)13(16)15(8-10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKey
MFIKGUQEHZMYSJ-UHFFFAOYSA-N
Compound name
1-benzyl-3-bromo-5-methylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.01022 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.01750 151.1
[M+Na]+ 299.99944 157.6
[M+NH4]+ 295.04404 156.4
[M+K]+ 315.97338 155.8
[M-H]- 276.00294 153.8
[M+Na-2H]- 297.98489 157.6
[M]+ 277.00967 151.8
[M]- 277.01077 151.8
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

No patent data available for this compound.