CID 86577750

N-[4-amino-1-[[4-amino-1-[[4-amino-1-[(4-amino-1-carbamoyl-butyl)carbamoyl]butyl]carbamoyl]butyl]carbamoyl]butyl]octanamide

Structural Information

Molecular Formula
C28H57N9O5
SMILES
CCCCCCCC(=O)NC(CCCN)C(=O)NC(CCCN)C(=O)NC(CCCN)C(=O)NC(CCCN)C(=O)N
InChI
InChI=1S/C28H57N9O5/c1-2-3-4-5-6-15-24(38)34-21(12-8-17-30)26(40)36-23(14-10-19-32)28(42)37-22(13-9-18-31)27(41)35-20(25(33)39)11-7-16-29/h20-23H,2-19,29-32H2,1H3,(H2,33,39)(H,34,38)(H,35,41)(H,36,40)(H,37,42)
InChIKey
JQSPIXLAVUTBOU-UHFFFAOYSA-N
Compound name
N-[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]octanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

599.44824 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 600.45552 222.2
[M+Na]+ 622.43746 240.5
[M-H]- 598.44096 237.7
[M+NH4]+ 617.48206 223.1
[M+K]+ 638.41140 231.9
[M+H-H2O]+ 582.44550 217.2
[M+HCOO]- 644.44644 197.3
[M+CH3COO]- 658.46209 287.6
[M+Na-2H]- 620.42291 282.9
[M]+ 599.44769 198.9
[M]- 599.44879 198.9
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.