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]+ 511.11516 213.7
[M+Na]+ 533.09710 214.2
[M-H]- 509.10060 214.5
[M+NH4]+ 528.14170 224.3
[M+K]+ 549.07104 212.8
[M+H-H2O]+ 493.10514 203.3
[M+HCOO]- 555.10608 233.4
[M+CH3COO]- 569.12173 219.1
[M+Na-2H]- 531.08255 210.1
[M]+ 510.10733 216.8
[M]- 510.10843 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.