CID 49885

Mercury, (3-(alpha-carboxy-o-anisamido)-2-(2-hydroxyethoxy)propyl)hydroxy-, monosodium salt

Structural Information

Molecular Formula
C14H18HgNO6
SMILES
COC1=CC=CC=C1C(=O)N(CC(C[Hg])OCCO)C(=O)O
InChI
InChI=1S/C14H18NO6.Hg/c1-10(21-8-7-16)9-15(14(18)19)13(17)11-5-3-4-6-12(11)20-2;/h3-6,10,16H,1,7-9H2,2H3,(H,18,19);
InChIKey
PEFYDNFHXYMGPG-UHFFFAOYSA-N
Compound name
[3-[carboxy-(2-methoxybenzoyl)amino]-2-(2-hydroxyethoxy)propyl]mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.08405 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.09133 208.5
[M+Na]+ 521.07327 210.4
[M-H]- 497.07677 208.5
[M+NH4]+ 516.11787 219.5
[M+K]+ 537.04721 209.6
[M+H-H2O]+ 481.08131 199.1
[M+HCOO]- 543.08225 226.1
[M+CH3COO]- 557.09790 213.4
[M+Na-2H]- 519.05872 204.1
[M]+ 498.08350 212.8
[M]- 498.08460 212.8
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.