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]+ 229.11829 150.4
[M+Na]+ 251.10023 157.0
[M-H]- 227.10373 147.2
[M+NH4]+ 246.14483 165.8
[M+K]+ 267.07417 154.4
[M+H-H2O]+ 211.10827 145.4
[M+HCOO]- 273.10921 162.6
[M+CH3COO]- 287.12486 184.2
[M+Na-2H]- 249.08568 150.8
[M]+ 228.11046 145.9
[M]- 228.11156 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.