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 222.3
[M+Na]+ 489.32000 219.7
[M-H]- 465.32350 223.6
[M+NH4]+ 484.36460 225.9
[M+K]+ 505.29394 215.7
[M+H-H2O]+ 449.32804 210.4
[M+HCOO]- 511.32898 236.2
[M+CH3COO]- 525.34463 244.7
[M+Na-2H]- 487.30545 217.6
[M]+ 466.33023 223.5
[M]- 466.33133 223.5
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.