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

25
Patents

252.1474 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.15468 160.4
[M+Na]+ 275.13662 165.3
[M-H]- 251.14012 161.8
[M+NH4]+ 270.18122 173.9
[M+K]+ 291.11056 161.6
[M+H-H2O]+ 235.14466 152.2
[M+HCOO]- 297.14560 173.4
[M+CH3COO]- 311.16125 192.7
[M+Na-2H]- 273.12207 159.7
[M]+ 252.14685 153.5
[M]- 252.14795 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