CID 5475175

Barbituric acid, 5-(2-butenyl)-5-propyl-, sodium salt

Structural Information

Molecular Formula
C11H16N2O3
SMILES
CCCC1(C(=O)NC(=O)NC1=O)C/C=C/C
InChI
InChI=1S/C11H16N2O3/c1-3-5-7-11(6-4-2)8(14)12-10(16)13-9(11)15/h3,5H,4,6-7H2,1-2H3,(H2,12,13,14,15,16)/b5-3+
InChIKey
MRJSFBRUKFUDRO-HWKANZROSA-N
Compound name
5-[(E)-but-2-enyl]-5-propyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.11609 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.123366 150.5
[M+Na]+ 247.105308 158.0
[M-H]- 223.108814 148.4
[M+NH4]+ 242.149913 167.0
[M+K]+ 263.079248 153.8
[M+H-H2O]+ 207.113350 144.8
[M+HCOO]- 269.114291 165.8
[M+CH3COO]- 283.129941 184.0
[M+Na-2H]- 245.090756 153.1
[M]+ 224.11554142 147.2
[M]- 224.11663858 147.2
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.