CID 3039138

Brn 0456337

Structural Information

Molecular Formula
C23H32N4O2
SMILES
CCCCC(CC)(C(=O)NC1=CC(=CC(=N1)C)C)C(=O)NC2=CC(=CC(=N2)C)C
InChI
InChI=1S/C23H32N4O2/c1-7-9-10-23(8-2,21(28)26-19-13-15(3)11-17(5)24-19)22(29)27-20-14-16(4)12-18(6)25-20/h11-14H,7-10H2,1-6H3,(H,24,26,28)(H,25,27,29)
InChIKey
FTDQTJYZVLILMD-UHFFFAOYSA-N
Compound name
2-butyl-N,N'-bis(4,6-dimethylpyridin-2-yl)-2-ethylpropanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.25253 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.25981 202.4
[M+Na]+ 419.24175 207.3
[M-H]- 395.24525 206.3
[M+NH4]+ 414.28635 210.7
[M+K]+ 435.21569 202.7
[M+H-H2O]+ 379.24979 192.3
[M+HCOO]- 441.25073 220.3
[M+CH3COO]- 455.26638 232.3
[M+Na-2H]- 417.22720 202.6
[M]+ 396.25198 205.3
[M]- 396.25308 205.3
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.