CID 210683

Barbituric acid, 5-allyl-5-(2-hydroxypropyl)-1-methyl-, (2r*,3s*)-

Structural Information

Molecular Formula
C11H16N2O4
SMILES
C[C@H](C[C@]1(C(=O)NC(=O)N(C1=O)C)CC=C)O
InChI
InChI=1S/C11H16N2O4/c1-4-5-11(6-7(2)14)8(15)12-10(17)13(3)9(11)16/h4,7,14H,1,5-6H2,2-3H3,(H,12,15,17)/t7-,11+/m1/s1
InChIKey
LYRJNDHLZUYGEO-HQJQHLMTSA-N
Compound name
(5S)-5-[(2R)-2-hydroxypropyl]-1-methyl-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

240.11101 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.118286 151.5
[M+Na]+ 263.100228 159.5
[M-H]- 239.103734 149.8
[M+NH4]+ 258.144833 167.4
[M+K]+ 279.074168 156.4
[M+H-H2O]+ 223.108270 146.3
[M+HCOO]- 285.109211 166.1
[M+CH3COO]- 299.124861 189.1
[M+Na-2H]- 261.085676 152.5
[M]+ 240.11046142 149.6
[M]- 240.11155858 149.6
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.