CID 5381861

Barbituric acid, 5-butyl-5-(1-methyl-1-propenyl)-

Structural Information

Molecular Formula
C12H18N2O3
SMILES
CCCCC1(C(=O)NC(=O)NC1=O)/C(=C/C)/C
InChI
InChI=1S/C12H18N2O3/c1-4-6-7-12(8(3)5-2)9(15)13-11(17)14-10(12)16/h5H,4,6-7H2,1-3H3,(H2,13,14,15,16,17)/b8-5+
InChIKey
HCIVICGGJAIDCU-VMPITWQZSA-N
Compound name
5-[(E)-but-2-en-2-yl]-5-butyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.13174 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.13902 157.5
[M+Na]+ 261.12096 166.1
[M+NH4]+ 256.16556 163.1
[M+K]+ 277.09490 160.0
[M-H]- 237.12446 154.7
[M+Na-2H]- 259.10641 159.3
[M]+ 238.13119 157.5
[M]- 238.13229 157.5
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.