CID 208120

Uracil, 1,3-dimethyl-5-(cyclohexylurea)-

Structural Information

Molecular Formula
C13H20N4O3
SMILES
CN1C(=CC(=O)N(C1=O)C)NC(=O)NC2CCCCC2
InChI
InChI=1S/C13H20N4O3/c1-16-10(8-11(18)17(2)13(16)20)15-12(19)14-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H2,14,15,19)
InChIKey
YQCWMXVTVHPCDJ-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.15353 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.160806 164.0
[M+Na]+ 303.142748 170.4
[M-H]- 279.146254 168.1
[M+NH4]+ 298.187353 176.8
[M+K]+ 319.116688 167.4
[M+H-H2O]+ 263.150790 154.9
[M+HCOO]- 325.151731 183.9
[M+CH3COO]- 339.167381 204.0
[M+Na-2H]- 301.128196 166.6
[M]+ 280.15298142 161.1
[M]- 280.15407858 161.1
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.