CID 3043947

56392-81-5

Structural Information

Molecular Formula
C15H17NO3
SMILES
CCC1(C=C(C(=O)N(C1=O)C)OC)C2=CC=CC=C2
InChI
InChI=1S/C15H17NO3/c1-4-15(11-8-6-5-7-9-11)10-12(19-3)13(17)16(2)14(15)18/h5-10H,4H2,1-3H3
InChIKey
CNUYOVRFIDRKKB-UHFFFAOYSA-N
Compound name
3-ethyl-5-methoxy-1-methyl-3-phenylpyridine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.12085 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.12813 156.5
[M+Na]+ 282.11007 165.8
[M-H]- 258.11357 162.5
[M+NH4]+ 277.15467 174.4
[M+K]+ 298.08401 162.9
[M+H-H2O]+ 242.11811 149.2
[M+HCOO]- 304.11905 177.5
[M+CH3COO]- 318.13470 197.0
[M+Na-2H]- 280.09552 160.7
[M]+ 259.12030 158.5
[M]- 259.12140 158.5
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.