CID 49140

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

Structural Information

Molecular Formula
C12H20N2O3
SMILES
C/C=C/CC1(C(=O)NC(NC1=O)O)CC(C)C
InChI
InChI=1S/C12H20N2O3/c1-4-5-6-12(7-8(2)3)9(15)13-11(17)14-10(12)16/h4-5,8,11,17H,6-7H2,1-3H3,(H,13,15)(H,14,16)/b5-4+
InChIKey
OENYHKDOSZXPSK-SNAWJCMRSA-N
Compound name
5-[(E)-but-2-enyl]-2-hydroxy-5-(2-methylpropyl)-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.1474 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.154676 157.3
[M+Na]+ 263.136618 163.5
[M-H]- 239.140124 153.7
[M+NH4]+ 258.181223 172.5
[M+K]+ 279.110558 159.3
[M+H-H2O]+ 223.144660 151.9
[M+HCOO]- 285.145601 169.6
[M+CH3COO]- 299.161251 186.4
[M+Na-2H]- 261.122066 157.6
[M]+ 240.14685142 152.6
[M]- 240.14794858 152.6
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.