CID 3055911

5,5-bis(3-hydroxymercuri-2-methoxypropyl)barbituric acid sodium salt

Structural Information

Molecular Formula
C12H18Hg2N2O5
SMILES
COC(CC1(C(=O)NC(=O)NC1=O)CC(C[Hg])OC)C[Hg]
InChI
InChI=1S/C12H18N2O5.2Hg/c1-7(18-3)5-12(6-8(2)19-4)9(15)13-11(17)14-10(12)16;;/h7-8H,1-2,5-6H2,3-4H3,(H2,13,14,15,16,17);;
InChIKey
VPSPZDPSSOUGLP-UHFFFAOYSA-N
Compound name
[3-[5-(3-mercurio-2-methoxypropyl)-2,4,6-trioxo-1,3-diazinan-5-yl]-2-methoxypropyl]mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

674.06287 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 675.07015 227.8
[M+Na]+ 697.05209 232.8
[M+NH4]+ 692.09669 230.3
[M+K]+ 713.02603 225.4
[M-H]- 673.05559 223.1
[M+Na-2H]- 695.03754 223.9
[M]+ 674.06232 226.4
[M]- 674.06342 226.4
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.