CID 49878

Refchem:1066921

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 200.9
[M+Na]+ 494.11002 206.2
[M-H]- 470.11352 198.5
[M+NH4]+ 489.15462 213.8
[M+K]+ 510.08396 202.9
[M+H-H2O]+ 454.11806 192.8
[M+HCOO]- 516.11900 213.6
[M+CH3COO]- 530.13465 208.7
[M+Na-2H]- 492.09547 197.2
[M]+ 471.12025 202.7
[M]- 471.12135 202.7
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.