CID 256809

2,6-bis-(acetoacetamido)-pyridine

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 162.4
[M+Na]+ 300.09548 167.1
[M-H]- 276.09898 164.4
[M+NH4]+ 295.14008 175.9
[M+K]+ 316.06942 166.1
[M+H-H2O]+ 260.10352 154.3
[M+HCOO]- 322.10446 184.1
[M+CH3COO]- 336.12011 204.4
[M+Na-2H]- 298.08093 163.8
[M]+ 277.10571 163.3
[M]- 277.10681 163.3
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.