CID 6445014

(+-)-2-((3-(2-furanyl)-1-oxo-2-propenyl)amino)-n,n,n',n'-tetrapropylpentanediamide

Structural Information

Molecular Formula
C24H39N3O4
SMILES
CCCN(CCC)C(=O)CCC(C(=O)N(CCC)CCC)NC(=O)/C=C/C1=CC=CO1
InChI
InChI=1S/C24H39N3O4/c1-5-15-26(16-6-2)23(29)14-12-21(24(30)27(17-7-3)18-8-4)25-22(28)13-11-20-10-9-19-31-20/h9-11,13,19,21H,5-8,12,14-18H2,1-4H3,(H,25,28)/b13-11+
InChIKey
PQZYMGPNKZYTDB-ACCUITESSA-N
Compound name
2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N,N',N'-tetrapropylpentanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.29407 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.30135 213.7
[M+Na]+ 456.28329 216.2
[M+NH4]+ 451.32789 215.8
[M+K]+ 472.25723 214.5
[M-H]- 432.28679 214.1
[M+Na-2H]- 454.26874 212.1
[M]+ 433.29352 213.3
[M]- 433.29462 213.3
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.