CID 50983

Hydroxy(2-methoxy-3-(2,4,6-trioxo-(1h,3h,5h)pyrimid-5-yl)propyl)mercury sodium salt

Structural Information

Molecular Formula
C8H11HgN2O4
SMILES
COC(CC1C(=O)NC(=O)NC1=O)C[Hg]
InChI
InChI=1S/C8H11N2O4.Hg/c1-4(14-2)3-5-6(11)9-8(13)10-7(5)12;/h4-5H,1,3H2,2H3,(H2,9,10,11,12,13);
InChIKey
SELTTXJWNOQCEW-UHFFFAOYSA-N
Compound name
[2-methoxy-3-(2,4,6-trioxo-1,3-diazinan-5-yl)propyl]mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.0425 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.04978 183.4
[M+Na]+ 424.03172 188.5
[M-H]- 400.03522 179.7
[M+NH4]+ 419.07632 195.9
[M+K]+ 440.00566 184.9
[M+H-H2O]+ 384.03976 174.8
[M+HCOO]- 446.04070 196.2
[M+CH3COO]- 460.05635 190.6
[M+Na-2H]- 422.01717 180.6
[M]+ 401.04195 180.5
[M]- 401.04305 180.5
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.