CID 6447789

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

Structural Information

Molecular Formula
C22H31N3O4
SMILES
CC(=CCNC(=O)CCC(C(=O)NCC=C(C)C)NC(=O)/C=C/C1=CC=CO1)C
InChI
InChI=1S/C22H31N3O4/c1-16(2)11-13-23-20(26)10-8-19(22(28)24-14-12-17(3)4)25-21(27)9-7-18-6-5-15-29-18/h5-7,9,11-12,15,19H,8,10,13-14H2,1-4H3,(H,23,26)(H,24,28)(H,25,27)/b9-7+
InChIKey
AVTFASCQVMKQDC-VQHVLOKHSA-N
Compound name
2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N'-bis(3-methylbut-2-enyl)pentanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.23145 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.23873 204.5
[M+Na]+ 424.22067 206.4
[M+NH4]+ 419.26527 205.7
[M+K]+ 440.19461 205.6
[M-H]- 400.22417 203.4
[M+Na-2H]- 422.20612 201.9
[M]+ 401.23090 203.4
[M]- 401.23200 203.4
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.