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]+ 322.176126 183.2
[M+Na]+ 344.158068 185.2
[M-H]- 320.161574 189.3
[M+NH4]+ 339.202673 197.5
[M+K]+ 360.132008 187.2
[M+H-H2O]+ 304.166110 174.9
[M+HCOO]- 366.167051 206.8
[M+CH3COO]- 380.182701 220.0
[M+Na-2H]- 342.143516 181.0
[M]+ 321.16830142 187.0
[M]- 321.16939858 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.