CID 256809

63896-86-6

Structural Information

Molecular Formula
C13H15N3O4
SMILES
CC(=O)CC(=O)NC1=NC(=CC=C1)NC(=O)CC(=O)C
InChI
InChI=1S/C13H15N3O4/c1-8(17)6-12(19)15-10-4-3-5-11(14-10)16-13(20)7-9(2)18/h3-5H,6-7H2,1-2H3,(H2,14,15,16,19,20)
InChIKey
DHZQCPZPEGHVNI-UHFFFAOYSA-N
Compound name
3-oxo-N-[6-(3-oxobutanoylamino)pyridin-2-yl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.10626 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.11354 162.7
[M+Na]+ 300.09548 170.2
[M+NH4]+ 295.14008 166.3
[M+K]+ 316.06942 167.6
[M-H]- 276.09898 161.6
[M+Na-2H]- 298.08093 165.3
[M]+ 277.10571 162.7
[M]- 277.10681 162.7
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.