CID 6445012

(+-)-n5,n5-diethyl-n1,n1-dipropyl-2-((3-(2-furanyl)-1-oxo-2-propyl)amino)pentanediamide

Structural Information

Molecular Formula
C22H35N3O4
SMILES
CCCN(CCC)C(=O)C(CCC(=O)N(CC)CC)NC(=O)/C=C/C1=CC=CO1
InChI
InChI=1S/C22H35N3O4/c1-5-15-25(16-6-2)22(28)19(12-14-21(27)24(7-3)8-4)23-20(26)13-11-18-10-9-17-29-18/h9-11,13,17,19H,5-8,12,14-16H2,1-4H3,(H,23,26)/b13-11+
InChIKey
TYZNAYCPGCUADZ-ACCUITESSA-N
Compound name
N',N'-diethyl-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N-dipropylpentanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.26276 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.270036 211.1
[M+Na]+ 428.251978 210.5
[M-H]- 404.255484 216.1
[M+NH4]+ 423.296583 222.0
[M+K]+ 444.225918 211.2
[M+H-H2O]+ 388.260020 201.8
[M+HCOO]- 450.260961 232.6
[M+CH3COO]- 464.276611 237.5
[M+Na-2H]- 426.237426 205.8
[M]+ 405.26221142 217.1
[M]- 405.26330858 217.1
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.