CID 13421021

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

Structural Information

Molecular Formula
C16H23N3O4
SMILES
CN(C)C(=O)CCC(C(=O)N(C)C)NC(=O)/C=C/C1=CC=CO1
InChI
InChI=1S/C16H23N3O4/c1-18(2)15(21)10-8-13(16(22)19(3)4)17-14(20)9-7-12-6-5-11-23-12/h5-7,9,11,13H,8,10H2,1-4H3,(H,17,20)/b9-7+
InChIKey
TTWKNZOAORKCJP-VQHVLOKHSA-N
Compound name
2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N,N',N'-tetramethylpentanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.16885 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.17613 183.2
[M+Na]+ 344.15807 185.2
[M-H]- 320.16157 189.3
[M+NH4]+ 339.20267 197.5
[M+K]+ 360.13201 187.2
[M+H-H2O]+ 304.16611 174.9
[M+HCOO]- 366.16705 206.8
[M+CH3COO]- 380.18270 220.0
[M+Na-2H]- 342.14352 181.0
[M]+ 321.16830 187.0
[M]- 321.16940 187.0
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.