CID 3039135

42331-70-4

Structural Information

Molecular Formula
C21H28N4O2
SMILES
CCCCC(CC)(C(=O)NC1=NC=CC(=C1)C)C(=O)NC2=NC=CC(=C2)C
InChI
InChI=1S/C21H28N4O2/c1-5-7-10-21(6-2,19(26)24-17-13-15(3)8-11-22-17)20(27)25-18-14-16(4)9-12-23-18/h8-9,11-14H,5-7,10H2,1-4H3,(H,22,24,26)(H,23,25,27)
InChIKey
RIZMBIBFEFWXKH-UHFFFAOYSA-N
Compound name
2-butyl-2-ethyl-N,N'-bis(4-methylpyridin-2-yl)propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.22122 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.22850 193.0
[M+Na]+ 391.21044 197.0
[M-H]- 367.21394 196.4
[M+NH4]+ 386.25504 201.8
[M+K]+ 407.18438 192.6
[M+H-H2O]+ 351.21848 182.8
[M+HCOO]- 413.21942 211.6
[M+CH3COO]- 427.23507 223.8
[M+Na-2H]- 389.19589 195.7
[M]+ 368.22067 194.4
[M]- 368.22177 194.4
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.