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

literature stripe

Patent stripe

patents stripe