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]+ 241.15468 157.3
[M+Na]+ 263.13662 163.5
[M-H]- 239.14012 153.7
[M+NH4]+ 258.18122 172.5
[M+K]+ 279.11056 159.3
[M+H-H2O]+ 223.14466 151.9
[M+HCOO]- 285.14560 169.6
[M+CH3COO]- 299.16125 186.4
[M+Na-2H]- 261.12207 157.6
[M]+ 240.14685 152.6
[M]- 240.14795 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.