CID 13459

890-04-0

Structural Information

Molecular Formula
C13H20N2O3
SMILES
CCCC1C(=O)NC(=O)N(C1=O)C2CCCCC2
InChI
InChI=1S/C13H20N2O3/c1-2-6-10-11(16)14-13(18)15(12(10)17)9-7-4-3-5-8-9/h9-10H,2-8H2,1H3,(H,14,16,18)
InChIKey
RXDPKNUSKRDQNV-UHFFFAOYSA-N
Compound name
1-cyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

252.1474 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.154676 160.4
[M+Na]+ 275.136618 165.3
[M-H]- 251.140124 161.8
[M+NH4]+ 270.181223 173.9
[M+K]+ 291.110558 161.6
[M+H-H2O]+ 235.144660 152.2
[M+HCOO]- 297.145601 173.4
[M+CH3COO]- 311.161251 192.7
[M+Na-2H]- 273.122066 159.7
[M]+ 252.14685142 153.5
[M]- 252.14794858 153.5
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

patents stripe