CID 3075426

180537-79-5

Structural Information

Molecular Formula
C16H14N2O3
SMILES
CC1=NC(=CC=C1)NC(=O)C(=O)CC(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H14N2O3/c1-11-6-5-9-15(17-11)18-16(21)14(20)10-13(19)12-7-3-2-4-8-12/h2-9H,10H2,1H3,(H,17,18,21)
InChIKey
RVCUELSHYQMXQL-UHFFFAOYSA-N
Compound name
N-(6-methylpyridin-2-yl)-2,4-dioxo-4-phenylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.10043 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10771 164.0
[M+Na]+ 305.08965 169.5
[M-H]- 281.09315 169.1
[M+NH4]+ 300.13425 177.3
[M+K]+ 321.06359 166.4
[M+H-H2O]+ 265.09769 155.0
[M+HCOO]- 327.09863 185.6
[M+CH3COO]- 341.11428 202.4
[M+Na-2H]- 303.07510 167.3
[M]+ 282.09988 164.1
[M]- 282.10098 164.1
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.