CID 12936

743-43-1

Structural Information

Molecular Formula
C19H28N2O3
SMILES
C=CCC1C(=O)N(C(=O)N(C1=O)C2CCCCC2)C3CCCCC3
InChI
InChI=1S/C19H28N2O3/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/h2,14-16H,1,3-13H2
InChIKey
VTHNOHNTKWFDGT-UHFFFAOYSA-N
Compound name
1,3-dicyclohexyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.21 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.21728 183.8
[M+Na]+ 355.19922 185.7
[M-H]- 331.20272 188.2
[M+NH4]+ 350.24382 193.9
[M+K]+ 371.17316 180.9
[M+H-H2O]+ 315.20726 173.3
[M+HCOO]- 377.20820 193.2
[M+CH3COO]- 391.22385 210.9
[M+Na-2H]- 353.18467 179.0
[M]+ 332.20945 173.5
[M]- 332.21055 173.5
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.