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 240.2
[M+Na]+ 697.05209 242.0
[M-H]- 673.05559 234.4
[M+NH4]+ 692.09669 249.0
[M+K]+ 713.02603 238.1
[M+H-H2O]+ 657.06013 230.1
[M+HCOO]- 719.06107 248.4
[M+CH3COO]- 733.07672 215.6
[M+Na-2H]- 695.03754 231.8
[M]+ 674.06232 240.4
[M]- 674.06342 240.4
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.