CID 38519

Cyclohexylureide-diallylmalonamic acid

Structural Information

Molecular Formula
C16H24N2O4
SMILES
C=CCC(CC=C)(C(=O)NC(=O)NC1CCCCC1)C(=O)O
InChI
InChI=1S/C16H24N2O4/c1-3-10-16(11-4-2,14(20)21)13(19)18-15(22)17-12-8-6-5-7-9-12/h3-4,12H,1-2,5-11H2,(H,20,21)(H2,17,18,19,22)
InChIKey
IVLANWURJTXCSR-UHFFFAOYSA-N
Compound name
2-(cyclohexylcarbamoylcarbamoyl)-2-prop-2-enylpent-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1736 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.18088 173.8
[M+Na]+ 331.16282 177.3
[M+NH4]+ 326.20742 176.9
[M+K]+ 347.13676 174.9
[M-H]- 307.16632 171.6
[M+Na-2H]- 329.14827 173.4
[M]+ 308.17305 172.8
[M]- 308.17415 172.8
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.