CID 145453485

N-{(n-(isopropanoyl)-butanamide)-(15-methyl-hexadecanoyl)}-butanyl pentanamide

Structural Information

Molecular Formula
C34H67N3O3
SMILES
CCCCC(=O)NCCCCN(CCCCNC(=O)C(C)C)C(=O)CCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C34H67N3O3/c1-6-7-24-32(38)35-26-19-21-28-37(29-22-20-27-36-34(40)31(4)5)33(39)25-18-16-14-12-10-8-9-11-13-15-17-23-30(2)3/h30-31H,6-29H2,1-5H3,(H,35,38)(H,36,40)
InChIKey
AIKFNLGXHRKOLE-UHFFFAOYSA-N
Compound name
15-methyl-N-[4-(2-methylpropanoylamino)butyl]-N-[4-(pentanoylamino)butyl]hexadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

565.51825 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 566.52553 264.7
[M+Na]+ 588.50747 277.5
[M-H]- 564.51097 262.7
[M+NH4]+ 583.55207 271.9
[M+K]+ 604.48141 276.5
[M+H-H2O]+ 548.51551 265.5
[M+HCOO]- 610.51645 258.0
[M+CH3COO]- 624.53210 272.8
[M+Na-2H]- 586.49292 251.8
[M]+ 565.51770 259.2
[M]- 565.51880 259.2
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.