CID 16684586

N-(3-acetoxymercuri-2-methoxypropyl)-hippuramide

Structural Information

Molecular Formula
C15H20HgN2O5
SMILES
CC(=O)O[Hg]CC(CNC(=O)CNC(=O)C1=CC=CC=C1)OC
InChI
InChI=1S/C13H17N2O3.C2H4O2.Hg/c1-10(18-2)8-14-12(16)9-15-13(17)11-6-4-3-5-7-11;1-2(3)4;/h3-7,10H,1,8-9H2,2H3,(H,14,16)(H,15,17);1H3,(H,3,4);/q;;+1/p-1
InChIKey
PAQQSVFVNIFGQN-UHFFFAOYSA-M
Compound name
acetyloxy-[3-[(2-benzamidoacetyl)amino]-2-methoxypropyl]mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

510.10788 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.115156 213.7
[M+Na]+ 533.097098 214.2
[M-H]- 509.100604 214.5
[M+NH4]+ 528.141703 224.3
[M+K]+ 549.071038 212.8
[M+H-H2O]+ 493.105140 203.3
[M+HCOO]- 555.106081 233.4
[M+CH3COO]- 569.121731 219.1
[M+Na-2H]- 531.082546 210.1
[M]+ 510.10733142 216.8
[M]- 510.10842858 216.8
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.