CID 20256

5-allyl-1-(4-hydroxycyclohexyl)barbituric acid

Structural Information

Molecular Formula
C13H18N2O4
SMILES
C=CCC1C(=O)NC(=O)N(C1=O)C2CCC(CC2)O
InChI
InChI=1S/C13H18N2O4/c1-2-3-10-11(17)14-13(19)15(12(10)18)8-4-6-9(16)7-5-8/h2,8-10,16H,1,3-7H2,(H,14,17,19)
InChIKey
UPDYLGKTEALMFT-UHFFFAOYSA-N
Compound name
1-(4-hydroxycyclohexyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.12665 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13393 162.4
[M+Na]+ 289.11587 167.9
[M-H]- 265.11937 162.8
[M+NH4]+ 284.16047 174.7
[M+K]+ 305.08981 163.4
[M+H-H2O]+ 249.12391 154.7
[M+HCOO]- 311.12485 174.2
[M+CH3COO]- 325.14050 193.2
[M+Na-2H]- 287.10132 160.7
[M]+ 266.12610 154.9
[M]- 266.12720 154.9
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

No patent data available for this compound.