CID 210588

1-(4-hydroxycyclohexyl)-5-propylbarbituric acid

Structural Information

Molecular Formula
C13H20N2O4
SMILES
CCCC1C(=O)NC(=O)N(C1=O)C2CCC(CC2)O
InChI
InChI=1S/C13H20N2O4/c1-2-3-10-11(17)14-13(19)15(12(10)18)8-4-6-9(16)7-5-8/h8-10,16H,2-7H2,1H3,(H,14,17,19)
InChIKey
WKFVLXPVWIQVMJ-UHFFFAOYSA-N
Compound name
1-(4-hydroxycyclohexyl)-5-propyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1423 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.14958 163.8
[M+Na]+ 291.13152 169.0
[M-H]- 267.13502 164.2
[M+NH4]+ 286.17612 176.1
[M+K]+ 307.10546 165.0
[M+H-H2O]+ 251.13956 156.0
[M+HCOO]- 313.14050 175.3
[M+CH3COO]- 327.15615 193.9
[M+Na-2H]- 289.11697 162.0
[M]+ 268.14175 156.9
[M]- 268.14285 156.9
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