CID 86577579

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

Structural Information

Molecular Formula
C24H49N5O3
SMILES
CCCCCCCCCCCCCC(=O)NC(CCCN)C(=O)NC(CCCN)C(=O)N
InChI
InChI=1S/C24H49N5O3/c1-2-3-4-5-6-7-8-9-10-11-12-17-22(30)28-21(16-14-19-26)24(32)29-20(23(27)31)15-13-18-25/h20-21H,2-19,25-26H2,1H3,(H2,27,31)(H,28,30)(H,29,32)
InChIKey
VAPMPWHMGRTAOV-UHFFFAOYSA-N
Compound name
N-[5-amino-1-[(1,5-diamino-1-oxopentan-2-yl)amino]-1-oxopentan-2-yl]tetradecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.38354 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.39082 228.5
[M+Na]+ 478.37276 242.7
[M-H]- 454.37626 231.1
[M+NH4]+ 473.41736 227.0
[M+K]+ 494.34670 234.6
[M+H-H2O]+ 438.38080 211.1
[M+HCOO]- 500.38174 220.2
[M+CH3COO]- 514.39739 251.2
[M+Na-2H]- 476.35821 211.7
[M]+ 455.38299 214.4
[M]- 455.38409 214.4
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.