CID 3076194

Brn 4751541

Structural Information

Molecular Formula
C15H12N2O3
SMILES
C1=CC=C(C=C1)C(=O)CC(=O)C(=O)NC2=CC=CC=N2
InChI
InChI=1S/C15H12N2O3/c18-12(11-6-2-1-3-7-11)10-13(19)15(20)17-14-8-4-5-9-16-14/h1-9H,10H2,(H,16,17,20)
InChIKey
SNPZWZTYJYKVTG-UHFFFAOYSA-N
Compound name
2,4-dioxo-4-phenyl-N-pyridin-2-ylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.08478 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.09206 160.1
[M+Na]+ 291.07400 171.9
[M+NH4]+ 286.11860 166.2
[M+K]+ 307.04794 166.4
[M-H]- 267.07750 162.6
[M+Na-2H]- 289.05945 168.0
[M]+ 268.08423 162.1
[M]- 268.08533 162.1
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.