CID 12935

Brn 0896346

Structural Information

Molecular Formula
C19H30N2O3
SMILES
CCCC1C(=O)N(C(=O)N(C1=O)C2CCCCC2)C3CCCCC3
InChI
InChI=1S/C19H30N2O3/c1-2-9-16-17(22)20(14-10-5-3-6-11-14)19(24)21(18(16)23)15-12-7-4-8-13-15/h14-16H,2-13H2,1H3
InChIKey
NCDGATZHWKMLQV-UHFFFAOYSA-N
Compound name
1,3-dicyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

334.22565 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.232926 185.1
[M+Na]+ 357.214868 186.7
[M-H]- 333.218374 189.5
[M+NH4]+ 352.259473 195.2
[M+K]+ 373.188808 182.5
[M+H-H2O]+ 317.222910 174.6
[M+HCOO]- 379.223851 194.3
[M+CH3COO]- 393.239501 211.6
[M+Na-2H]- 355.200316 180.2
[M]+ 334.22510142 175.5
[M]- 334.22619858 175.5
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.