CID 139596683

In-kd304

Structural Information

Molecular Formula
C13H18N2O3
SMILES
C1CC2=C(C1)NC(=O)N(C2=O)C3CCC(CC3)O
InChI
InChI=1S/C13H18N2O3/c16-9-6-4-8(5-7-9)15-12(17)10-2-1-3-11(10)14-13(15)18/h8-9,16H,1-7H2,(H,14,18)
InChIKey
PTZBDQNKCNLQFK-UHFFFAOYSA-N
Compound name
3-(4-hydroxycyclohexyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

250.13174 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.139016 156.0
[M+Na]+ 273.120958 163.4
[M-H]- 249.124464 158.1
[M+NH4]+ 268.165563 171.9
[M+K]+ 289.094898 158.4
[M+H-H2O]+ 233.129000 148.5
[M+HCOO]- 295.129941 170.7
[M+CH3COO]- 309.145591 166.5
[M+Na-2H]- 271.106406 157.1
[M]+ 250.13119142 150.4
[M]- 250.13228858 150.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.