CID 49876

1-(3-chloromercuri-2-methoxy-1-propyl)-3-methylhydantoin

Structural Information

Molecular Formula
C8H13ClHgN2O3
SMILES
CN1C(=O)CN(C1=O)CC(C[Hg]Cl)OC
InChI
InChI=1S/C8H13N2O3.ClH.Hg/c1-6(13-3)4-10-5-7(11)9(2)8(10)12;;/h6H,1,4-5H2,2-3H3;1H;/q;;+1/p-1
InChIKey
NDNDEKJQNQEWJD-UHFFFAOYSA-M
Compound name
chloro-[2-methoxy-3-(3-methyl-2,4-dioxoimidazolidin-1-yl)propyl]mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.0321 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.03938 186.8
[M+Na]+ 445.02132 194.1
[M-H]- 421.02482 186.1
[M+NH4]+ 440.06592 202.9
[M+K]+ 460.99526 190.4
[M+H-H2O]+ 405.02936 178.7
[M+HCOO]- 467.03030 199.8
[M+CH3COO]- 481.04595 197.4
[M+Na-2H]- 443.00677 183.1
[M]+ 422.03155 190.7
[M]- 422.03265 190.7
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.