CID 86577752

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

Structural Information

Molecular Formula
C32H65N9O5
SMILES
CCCCCCCCCCCC(=O)NC(CCCN)C(=O)NC(CCCN)C(=O)NC(CCCN)C(=O)NC(CCCN)C(=O)N
InChI
InChI=1S/C32H65N9O5/c1-2-3-4-5-6-7-8-9-10-19-28(42)38-25(16-12-21-34)30(44)40-27(18-14-23-36)32(46)41-26(17-13-22-35)31(45)39-24(29(37)43)15-11-20-33/h24-27H,2-23,33-36H2,1H3,(H2,37,43)(H,38,42)(H,39,45)(H,40,44)(H,41,46)
InChIKey
JAQZWGMFKSHBSH-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]dodecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

655.51086 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 656.51814 233.3
[M+Na]+ 678.50008 251.0
[M-H]- 654.50358 247.5
[M+NH4]+ 673.54468 234.1
[M+K]+ 694.47402 244.0
[M+H-H2O]+ 638.50812 228.0
[M+HCOO]- 700.50906 206.9
[M+CH3COO]- 714.52471 297.9
[M+Na-2H]- 676.48553 294.5
[M]+ 655.51031 210.2
[M]- 655.51141 210.2
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.