CID 3059931

77502-23-9

Structural Information

Molecular Formula
C28H42N4O2
SMILES
CCCC(CCC)C(=O)NC(C1=CC=NC=C1)C(C2=CC=NC=C2)NC(=O)C(CCC)CCC
InChI
InChI=1S/C28H42N4O2/c1-5-9-23(10-6-2)27(33)31-25(21-13-17-29-18-14-21)26(22-15-19-30-20-16-22)32-28(34)24(11-7-3)12-8-4/h13-20,23-26H,5-12H2,1-4H3,(H,31,33)(H,32,34)
InChIKey
KQFHFSAKQRNYHU-UHFFFAOYSA-N
Compound name
2-propyl-N-[2-(2-propylpentanoylamino)-1,2-dipyridin-4-ylethyl]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.33078 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.33806 220.0
[M+Na]+ 489.32000 226.9
[M+NH4]+ 484.36460 223.0
[M+K]+ 505.29394 221.3
[M-H]- 465.32350 221.6
[M+Na-2H]- 487.30545 223.5
[M]+ 466.33023 220.9
[M]- 466.33133 220.9
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.