CID 3039136

Brn 0437877

Structural Information

Molecular Formula
C17H20N4O2
SMILES
CCC(C(=O)NC1=CC=CC(=N1)C)C(=O)NC2=CC=CC(=N2)C
InChI
InChI=1S/C17H20N4O2/c1-4-13(16(22)20-14-9-5-7-11(2)18-14)17(23)21-15-10-6-8-12(3)19-15/h5-10,13H,4H2,1-3H3,(H,18,20,22)(H,19,21,23)
InChIKey
AJDNFCVGCPWKFH-UHFFFAOYSA-N
Compound name
2-ethyl-N,N'-bis(6-methylpyridin-2-yl)propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.15863 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.16591 175.3
[M+Na]+ 335.14785 180.4
[M-H]- 311.15135 179.2
[M+NH4]+ 330.19245 186.2
[M+K]+ 351.12179 176.9
[M+H-H2O]+ 295.15589 165.3
[M+HCOO]- 357.15683 195.9
[M+CH3COO]- 371.17248 212.5
[M+Na-2H]- 333.13330 178.0
[M]+ 312.15808 175.2
[M]- 312.15918 175.2
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.