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]+ 378.238726 200.1
[M+Na]+ 400.220668 199.9
[M-H]- 376.224174 202.4
[M+NH4]+ 395.265273 210.8
[M+K]+ 416.194608 198.3
[M+H-H2O]+ 360.228710 191.1
[M+HCOO]- 422.229651 221.3
[M+CH3COO]- 436.245301 225.3
[M+Na-2H]- 398.206116 197.4
[M]+ 377.23090142 202.8
[M]- 377.23199858 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.