CID 86577828

Chembl3355089

Structural Information

Molecular Formula
C39H79N11O6
SMILES
CCCCCCCCCCCCCC(=O)NC(CCCN)C(=O)NC(CCCN)C(=O)NC(CCCN)C(=O)NC(CCCN)C(=O)NC(CCCN)C(=O)N
InChI
InChI=1S/C39H79N11O6/c1-2-3-4-5-6-7-8-9-10-11-12-23-34(51)46-30(19-14-25-41)36(53)48-32(21-16-27-43)38(55)50-33(22-17-28-44)39(56)49-31(20-15-26-42)37(54)47-29(35(45)52)18-13-24-40/h29-33H,2-28,40-44H2,1H3,(H2,45,52)(H,46,51)(H,47,54)(H,48,53)(H,49,56)(H,50,55)
InChIKey
BKHGJKBBSQQVEL-UHFFFAOYSA-N
Compound name
N-[5-amino-1-[[5-amino-1-[[5-amino-1-[[5-amino-1-[(1,5-diamino-1-oxopentan-2-yl)amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]tetradecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

797.62146 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 798.62874 278.9
[M+Na]+ 820.61068 275.4
[M-H]- 796.61418 278.5
[M+NH4]+ 815.65528 279.9
[M+K]+ 836.58462 277.5
[M+H-H2O]+ 780.61872 259.0
[M+HCOO]- 842.61966 280.0
[M+CH3COO]- 856.63531 325.7
[M+Na-2H]- 818.59613 321.1
[M]+ 797.62091 312.0
[M]- 797.62201 312.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.