CID 16684504

N-(2-methoxy-3-(1,2-dicarboxyethylthiomercuri)propyl)-o-carboxymethyl salicylamide trisodium

Structural Information

Molecular Formula
C17H21HgNO9S
SMILES
COC(CNC(=O)C1=CC=CC=C1OCC(=O)O)C[Hg]SC(CC(=O)O)C(=O)O
InChI
InChI=1S/C13H16NO5.C4H6O4S.Hg/c1-9(18-2)7-14-13(17)10-5-3-4-6-11(10)19-8-12(15)16;5-3(6)1-2(9)4(7)8;/h3-6,9H,1,7-8H2,2H3,(H,14,17)(H,15,16);2,9H,1H2,(H,5,6)(H,7,8);/q;;+1/p-1
InChIKey
CGXOBWCSZHKMOM-UHFFFAOYSA-M
Compound name
[3-[[2-(carboxymethoxy)benzoyl]amino]-2-methoxypropyl]-(1,2-dicarboxyethylsulfanyl)mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

617.06433 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 618.07161 231.1
[M+Na]+ 640.05355 228.8
[M-H]- 616.05705 227.0
[M+NH4]+ 635.09815 235.0
[M+K]+ 656.02749 227.1
[M+H-H2O]+ 600.06159 221.0
[M+HCOO]- 662.06253 238.0
[M+CH3COO]- 676.07818 229.0
[M+Na-2H]- 638.03900 221.8
[M]+ 617.06378 236.3
[M]- 617.06488 236.3
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.