CID 6481387

1-benzyl-4-methyl-3h-pyridine-2,6-dione

Structural Information

Molecular Formula
C13H13NO2
SMILES
CC1=CC(=O)N(C(=O)C1)CC2=CC=CC=C2
InChI
InChI=1S/C13H13NO2/c1-10-7-12(15)14(13(16)8-10)9-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3
InChIKey
MPHBCWUMQTYYNA-UHFFFAOYSA-N
Compound name
1-benzyl-4-methyl-3H-pyridine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

215.09464 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.10192 146.0
[M+Na]+ 238.08386 154.3
[M-H]- 214.08736 151.5
[M+NH4]+ 233.12846 163.4
[M+K]+ 254.05780 150.9
[M+H-H2O]+ 198.09190 138.3
[M+HCOO]- 260.09284 167.4
[M+CH3COO]- 274.10849 188.1
[M+Na-2H]- 236.06931 150.6
[M]+ 215.09409 145.0
[M]- 215.09519 145.0
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.