CID 6447790

(e)-(+-)-2-((3-(2-furanyl)-1-oxo-2-propenyl)amino)-n,n,n',n'-tetrapropylpentanediamide

Structural Information

Molecular Formula
C28H47N3O4
SMILES
CCCCN(CCCC)C(=O)CCC(C(=O)N(CCCC)CCCC)NC(=O)/C=C/C1=CC=CO1
InChI
InChI=1S/C28H47N3O4/c1-5-9-19-30(20-10-6-2)27(33)18-16-25(28(34)31(21-11-7-3)22-12-8-4)29-26(32)17-15-24-14-13-23-35-24/h13-15,17,23,25H,5-12,16,18-22H2,1-4H3,(H,29,32)/b17-15+
InChIKey
ZVMWNUWZKMMZFV-BMRADRMJSA-N
Compound name
N,N,N',N'-tetrabutyl-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

489.35666 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.36394 238.2
[M+Na]+ 512.34588 235.1
[M-H]- 488.34938 242.0
[M+NH4]+ 507.39048 246.9
[M+K]+ 528.31982 234.5
[M+H-H2O]+ 472.35392 227.9
[M+HCOO]- 534.35486 241.0
[M+CH3COO]- 548.37051 254.8
[M+Na-2H]- 510.33133 230.0
[M]+ 489.35611 246.3
[M]- 489.35721 246.3
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.