CID 6445016

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

Structural Information

Molecular Formula
C20H31N3O4
SMILES
CCCCNC(=O)CCC(C(=O)NCCCC)NC(=O)/C=C/C1=CC=CO1
InChI
InChI=1S/C20H31N3O4/c1-3-5-13-21-18(24)12-10-17(20(26)22-14-6-4-2)23-19(25)11-9-16-8-7-15-27-16/h7-9,11,15,17H,3-6,10,12-14H2,1-2H3,(H,21,24)(H,22,26)(H,23,25)/b11-9+
InChIKey
UXRWRQAYXKNJEQ-PKNBQFBNSA-N
Compound name
N,N'-dibutyl-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pentanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.23145 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.23873 200.1
[M+Na]+ 400.22067 199.9
[M-H]- 376.22417 202.4
[M+NH4]+ 395.26527 210.8
[M+K]+ 416.19461 198.3
[M+H-H2O]+ 360.22871 191.1
[M+HCOO]- 422.22965 221.3
[M+CH3COO]- 436.24530 225.3
[M+Na-2H]- 398.20612 197.4
[M]+ 377.23090 202.8
[M]- 377.23200 202.8
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.