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 159.6
[M+Na]+ 291.07400 164.7
[M-H]- 267.07750 164.5
[M+NH4]+ 286.11860 173.2
[M+K]+ 307.04794 161.7
[M+H-H2O]+ 251.08204 150.6
[M+HCOO]- 313.08298 181.6
[M+CH3COO]- 327.09863 198.2
[M+Na-2H]- 289.05945 164.2
[M]+ 268.08423 159.0
[M]- 268.08533 159.0
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

patents stripe