CID 198218

Cyclohexylureide-diallylmalonic acid

Structural Information

Molecular Formula
C23H36N4O4
SMILES
C=CCC(CC=C)(C(=O)NC(=O)NC1CCCCC1)C(=O)NC(=O)NC2CCCCC2
InChI
InChI=1S/C23H36N4O4/c1-3-15-23(16-4-2,19(28)26-21(30)24-17-11-7-5-8-12-17)20(29)27-22(31)25-18-13-9-6-10-14-18/h3-4,17-18H,1-2,5-16H2,(H2,24,26,28,30)(H2,25,27,29,31)
InChIKey
XUNINCNJVUHSKB-UHFFFAOYSA-N
Compound name
N,N'-bis(cyclohexylcarbamoyl)-2,2-bis(prop-2-enyl)propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.27365 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.28093 202.7
[M+Na]+ 455.26287 196.9
[M-H]- 431.26637 205.1
[M+NH4]+ 450.30747 209.3
[M+K]+ 471.23681 194.6
[M+H-H2O]+ 415.27091 193.7
[M+HCOO]- 477.27185 215.9
[M+CH3COO]- 491.28750 235.8
[M+Na-2H]- 453.24832 199.4
[M]+ 432.27310 191.7
[M]- 432.27420 191.7
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.