CID 49878

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

Structural Information

Molecular Formula
C13H21HgN2O4
SMILES
CCC1(C(=O)NC(=O)N(C1=O)CC(C[Hg])OCC)CC
InChI
InChI=1S/C13H21N2O4.Hg/c1-5-13(6-2)10(16)14-12(18)15(11(13)17)8-9(4)19-7-3;/h9H,4-8H2,1-3H3,(H,14,16,18);
InChIKey
APEIKJZZEQQLRJ-UHFFFAOYSA-N
Compound name
[3-(5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl)-2-ethoxypropyl]mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.1208 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.12808 196.9
[M+Na]+ 494.11002 204.5
[M+NH4]+ 489.15462 201.3
[M+K]+ 510.08396 197.1
[M-H]- 470.11352 193.9
[M+Na-2H]- 492.09547 196.2
[M]+ 471.12025 196.6
[M]- 471.12135 196.6
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.