CID 49880

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

Structural Information

Molecular Formula
C14H23HgN2O4
SMILES
CCC1(C(=O)NC(=O)N(C1=O)CC(C[Hg])OC(C)C)CC
InChI
InChI=1S/C14H23N2O4.Hg/c1-6-14(7-2)11(17)15-13(19)16(12(14)18)8-10(5)20-9(3)4;/h9-10H,5-8H2,1-4H3,(H,15,17,19);
InChIKey
JINMSCPDFWAOJB-UHFFFAOYSA-N
Compound name
[3-(5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl)-2-propan-2-yloxypropyl]mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.1364 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.14368 200.6
[M+Na]+ 508.12562 207.7
[M+NH4]+ 503.17022 204.7
[M+K]+ 524.09956 200.9
[M-H]- 484.12912 197.4
[M+Na-2H]- 506.11107 199.4
[M]+ 485.13585 200.2
[M]- 485.13695 200.2
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.