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]+ 281.16081 164.0
[M+Na]+ 303.14275 170.4
[M-H]- 279.14625 168.1
[M+NH4]+ 298.18735 176.8
[M+K]+ 319.11669 167.4
[M+H-H2O]+ 263.15079 154.9
[M+HCOO]- 325.15173 183.9
[M+CH3COO]- 339.16738 204.0
[M+Na-2H]- 301.12820 166.6
[M]+ 280.15298 161.1
[M]- 280.15408 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.