CID 36609

5-(2-hydroxypropyl)-5-isopropylbarbituric acid

Structural Information

Molecular Formula
C10H16N2O4
SMILES
CC(C)C1(C(=O)NC(=O)NC1=O)CC(C)O
InChI
InChI=1S/C10H16N2O4/c1-5(2)10(4-6(3)13)7(14)11-9(16)12-8(10)15/h5-6,13H,4H2,1-3H3,(H2,11,12,14,15,16)
InChIKey
PKMMAWVSVCNKLQ-UHFFFAOYSA-N
Compound name
5-(2-hydroxypropyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.11101 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.118286 150.4
[M+Na]+ 251.100228 157.0
[M-H]- 227.103734 147.2
[M+NH4]+ 246.144833 165.8
[M+K]+ 267.074168 154.4
[M+H-H2O]+ 211.108270 145.4
[M+HCOO]- 273.109211 162.6
[M+CH3COO]- 287.124861 184.2
[M+Na-2H]- 249.085676 150.8
[M]+ 228.11046142 145.9
[M]- 228.11155858 145.9
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.