CID 86577661

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

Structural Information

Molecular Formula
C26H53N5O3
SMILES
CCCCCCCCCCCCCCCC(=O)NC(CCCN)C(=O)NC(CCCN)C(=O)N
InChI
InChI=1S/C26H53N5O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-24(32)30-23(18-16-21-28)26(34)31-22(25(29)33)17-15-20-27/h22-23H,2-21,27-28H2,1H3,(H2,29,33)(H,30,32)(H,31,34)
InChIKey
HQEXUWXXVQBMDX-UHFFFAOYSA-N
Compound name
N-[5-amino-1-[(1,5-diamino-1-oxopentan-2-yl)amino]-1-oxopentan-2-yl]hexadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.41483 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.42211 235.1
[M+Na]+ 506.40405 249.0
[M-H]- 482.40755 237.0
[M+NH4]+ 501.44865 233.6
[M+K]+ 522.37799 241.7
[M+H-H2O]+ 466.41209 231.6
[M+HCOO]- 528.41303 226.0
[M+CH3COO]- 542.42868 256.9
[M+Na-2H]- 504.38950 223.4
[M]+ 483.41428 220.9
[M]- 483.41538 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.