CID 6434826

Barbituric acid, 5-ethyl-1-methyl-5-(2-pentenyl)-, sodium salt

Structural Information

Molecular Formula
C12H18N2O3
SMILES
CC/C=C/CC1(C(=O)NC(=O)N(C1=O)C)CC
InChI
InChI=1S/C12H18N2O3/c1-4-6-7-8-12(5-2)9(15)13-11(17)14(3)10(12)16/h6-7H,4-5,8H2,1-3H3,(H,13,15,17)/b7-6+
InChIKey
DNBPIMCHFKVVON-VOTSOKGWSA-N
Compound name
5-ethyl-1-methyl-5-[(E)-pent-2-enyl]-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

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.139016 152.6
[M+Na]+ 261.120958 161.0
[M-H]- 237.124464 152.1
[M+NH4]+ 256.165563 169.6
[M+K]+ 277.094898 157.5
[M+H-H2O]+ 221.129000 146.8
[M+HCOO]- 283.129941 169.1
[M+CH3COO]- 297.145591 190.7
[M+Na-2H]- 259.106406 154.6
[M]+ 238.13119142 151.9
[M]- 238.13228858 151.9
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.