CID 30178

20527-61-1

Structural Information

Molecular Formula
C20H30N2O4
SMILES
CC(=O)CCC1C(=O)N(C(=O)N(C1=O)C2CCCCC2)C3CCCCC3
InChI
InChI=1S/C20H30N2O4/c1-14(23)12-13-17-18(24)21(15-8-4-2-5-9-15)20(26)22(19(17)25)16-10-6-3-7-11-16/h15-17H,2-13H2,1H3
InChIKey
ZFPXRUWYABZHBU-UHFFFAOYSA-N
Compound name
1,3-dicyclohexyl-5-(3-oxobutyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.22055 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.227826 189.8
[M+Na]+ 385.209768 190.8
[M-H]- 361.213274 194.0
[M+NH4]+ 380.254373 198.4
[M+K]+ 401.183708 187.0
[M+H-H2O]+ 345.217810 179.3
[M+HCOO]- 407.218751 198.0
[M+CH3COO]- 421.234401 217.1
[M+Na-2H]- 383.195216 183.6
[M]+ 362.22000142 180.7
[M]- 362.22109858 180.7
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.