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]+ 265.15468 161.5
[M+Na]+ 287.13662 167.7
[M-H]- 263.14012 159.1
[M+NH4]+ 282.18122 176.3
[M+K]+ 303.11056 163.2
[M+H-H2O]+ 247.14466 155.9
[M+HCOO]- 309.14560 174.1
[M+CH3COO]- 323.16125 193.4
[M+Na-2H]- 285.12207 160.4
[M]+ 264.14685 157.3
[M]- 264.14795 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.