CID 6445013

(+-)-n1,n1-dimethyl-n5,n5-dipropyl-2-((3-(2-furanyl)-1-oxopropenyl)amino)pentanediamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.23145 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.23873 201.9
[M+Na]+ 400.22067 202.2
[M-H]- 376.22417 207.2
[M+NH4]+ 395.26527 213.9
[M+K]+ 416.19461 203.3
[M+H-H2O]+ 360.22871 192.9
[M+HCOO]- 422.22965 224.1
[M+CH3COO]- 436.24530 231.7
[M+Na-2H]- 398.20612 197.6
[M]+ 377.23090 207.1
[M]- 377.23200 207.1
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.