CID 3075420

180537-58-0

Structural Information

Molecular Formula
C17H16N2O3
SMILES
CC1=CC=C(C=C1)C(=O)CC(=O)C(=O)NC2=CC=CC(=N2)C
InChI
InChI=1S/C17H16N2O3/c1-11-6-8-13(9-7-11)14(20)10-15(21)17(22)19-16-5-3-4-12(2)18-16/h3-9H,10H2,1-2H3,(H,18,19,22)
InChIKey
VTZFKVQJTYHMLE-UHFFFAOYSA-N
Compound name
4-(4-methylphenyl)-N-(6-methylpyridin-2-yl)-2,4-dioxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.1161 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.12338 168.6
[M+Na]+ 319.10532 180.8
[M+NH4]+ 314.14992 174.4
[M+K]+ 335.07926 175.2
[M-H]- 295.10882 171.2
[M+Na-2H]- 317.09077 175.6
[M]+ 296.11555 170.8
[M]- 296.11665 170.8
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.