CID 24185

5,5-diethyl-1-(2-hydroxypropyl)barbituric acid

Structural Information

Molecular Formula
C11H18N2O4
SMILES
CCC1(C(=O)NC(=O)N(C1=O)CC(C)O)CC
InChI
InChI=1S/C11H18N2O4/c1-4-11(5-2)8(15)12-10(17)13(9(11)16)6-7(3)14/h7,14H,4-6H2,1-3H3,(H,12,15,17)
InChIKey
WBDWNFARRGKJHH-UHFFFAOYSA-N
Compound name
5,5-diethyl-1-(2-hydroxypropyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.12666 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.13394 153.1
[M+Na]+ 265.11588 160.8
[M-H]- 241.11938 151.3
[M+NH4]+ 260.16048 169.0
[M+K]+ 281.08982 158.3
[M+H-H2O]+ 225.12392 147.7
[M+HCOO]- 287.12486 167.4
[M+CH3COO]- 301.14051 189.9
[M+Na-2H]- 263.10133 154.0
[M]+ 242.12611 151.8
[M]- 242.12721 151.8
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.