CID 86577662

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

Structural Information

Molecular Formula
C28H57N5O3
SMILES
CCCCCCCCCCCCCCCCCC(=O)NC(CCCN)C(=O)NC(CCCN)C(=O)N
InChI
InChI=1S/C28H57N5O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26(34)32-25(20-18-23-30)28(36)33-24(27(31)35)19-17-22-29/h24-25H,2-23,29-30H2,1H3,(H2,31,35)(H,32,34)(H,33,36)
InChIKey
IXQZHCKFUSJDFE-UHFFFAOYSA-N
Compound name
N-[5-amino-1-[(1,5-diamino-1-oxopentan-2-yl)amino]-1-oxopentan-2-yl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

511.44614 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.45342 241.6
[M+Na]+ 534.43536 255.2
[M-H]- 510.43886 242.8
[M+NH4]+ 529.47996 240.0
[M+K]+ 550.40930 248.7
[M+H-H2O]+ 494.44340 237.9
[M+HCOO]- 556.44434 231.7
[M+CH3COO]- 570.45999 262.6
[M+Na-2H]- 532.42081 229.1
[M]+ 511.44559 227.3
[M]- 511.44669 227.3
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.