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]+ 378.238726 201.9
[M+Na]+ 400.220668 202.2
[M-H]- 376.224174 207.2
[M+NH4]+ 395.265273 213.9
[M+K]+ 416.194608 203.3
[M+H-H2O]+ 360.228710 192.9
[M+HCOO]- 422.229651 224.1
[M+CH3COO]- 436.245301 231.7
[M+Na-2H]- 398.206116 197.6
[M]+ 377.23090142 207.1
[M]- 377.23199858 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.