CID 6445015

(+-)-2-((3-(2-furanyl)-1-oxo-2-propenyl)amino)-n,n'-bis(1-methylethyl)pentanediamide

Structural Information

Molecular Formula
C18H27N3O4
SMILES
CC(C)NC(=O)CCC(C(=O)NC(C)C)NC(=O)/C=C/C1=CC=CO1
InChI
InChI=1S/C18H27N3O4/c1-12(2)19-16(22)10-8-15(18(24)20-13(3)4)21-17(23)9-7-14-6-5-11-25-14/h5-7,9,11-13,15H,8,10H2,1-4H3,(H,19,22)(H,20,24)(H,21,23)/b9-7+
InChIKey
LKOORBQAPSCOJB-VQHVLOKHSA-N
Compound name
2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N'-di(propan-2-yl)pentanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.20016 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.20744 192.9
[M+Na]+ 372.18938 193.1
[M-H]- 348.19288 195.8
[M+NH4]+ 367.23398 204.6
[M+K]+ 388.16332 193.2
[M+H-H2O]+ 332.19742 184.6
[M+HCOO]- 394.19836 212.8
[M+CH3COO]- 408.21401 221.3
[M+Na-2H]- 370.17483 188.7
[M]+ 349.19961 193.6
[M]- 349.20071 193.6
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.