CID 48590

Barbituric acid, 5,5-bis(3-methyl-2-butenyl)-

Structural Information

Molecular Formula
C14H20N2O3
SMILES
CC(=CCC1(C(=O)NC(=O)NC1=O)CC=C(C)C)C
InChI
InChI=1S/C14H20N2O3/c1-9(2)5-7-14(8-6-10(3)4)11(17)15-13(19)16-12(14)18/h5-6H,7-8H2,1-4H3,(H2,15,16,17,18,19)
InChIKey
ABEJKQCMOZWDQB-UHFFFAOYSA-N
Compound name
5,5-bis(3-methylbut-2-enyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.1474 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.154676 161.5
[M+Na]+ 287.136618 167.7
[M-H]- 263.140124 159.1
[M+NH4]+ 282.181223 176.3
[M+K]+ 303.110558 163.2
[M+H-H2O]+ 247.144660 155.9
[M+HCOO]- 309.145601 174.1
[M+CH3COO]- 323.161251 193.4
[M+Na-2H]- 285.122066 160.4
[M]+ 264.14685142 157.3
[M]- 264.14794858 157.3
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.