CID 49882

N-(2-methoxy-3-hydroxymercuripropyl)barbital

Structural Information

Molecular Formula
C12H19HgN2O4
SMILES
CCC1(C(=O)NC(=O)N(C1=O)CC(C[Hg])OC)CC
InChI
InChI=1S/C12H19N2O4.Hg/c1-5-12(6-2)9(15)13-11(17)14(10(12)16)7-8(3)18-4;/h8H,3,5-7H2,1-2,4H3,(H,13,15,17);
InChIKey
VJARCFIXAWPDBQ-UHFFFAOYSA-N
Compound name
[3-(5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl)-2-methoxypropyl]mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.10513 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.11241 192.6
[M+Na]+ 480.09435 200.5
[M+NH4]+ 475.13895 197.2
[M+K]+ 496.06829 193.2
[M-H]- 456.09785 189.7
[M+Na-2H]- 478.07980 192.2
[M]+ 457.10458 192.4
[M]- 457.10568 192.4
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.