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 220.2
[M+Na]+ 456.28329 218.8
[M-H]- 432.28679 224.8
[M+NH4]+ 451.32789 230.0
[M+K]+ 472.25723 219.1
[M+H-H2O]+ 416.29133 210.6
[M+HCOO]- 478.29227 241.1
[M+CH3COO]- 492.30792 243.3
[M+Na-2H]- 454.26874 213.9
[M]+ 433.29352 226.9
[M]- 433.29462 226.9
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.