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]+ 406.27004 211.1
[M+Na]+ 428.25198 210.5
[M-H]- 404.25548 216.1
[M+NH4]+ 423.29658 222.0
[M+K]+ 444.22592 211.2
[M+H-H2O]+ 388.26002 201.8
[M+HCOO]- 450.26096 232.6
[M+CH3COO]- 464.27661 237.5
[M+Na-2H]- 426.23743 205.8
[M]+ 405.26221 217.1
[M]- 405.26331 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.