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 168.2
[M+Na]+ 319.10532 174.3
[M-H]- 295.10882 173.6
[M+NH4]+ 314.14992 181.3
[M+K]+ 335.07926 171.0
[M+H-H2O]+ 279.11336 159.3
[M+HCOO]- 341.11430 189.5
[M+CH3COO]- 355.12995 206.6
[M+Na-2H]- 317.09077 170.3
[M]+ 296.11555 169.2
[M]- 296.11665 169.2
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.