CID 16683862

Thiazole, 2-acetamido-4,5-bis-(acetoxymercuri)-

Structural Information

Molecular Formula
C9H10Hg2N2O5S
SMILES
CC(=O)NC1=NC(=C(S1)[Hg]OC(=O)C)[Hg]OC(=O)C
InChI
InChI=1S/C5H4N2OS.2C2H4O2.2Hg/c1-4(8)7-5-6-2-3-9-5;2*1-2(3)4;;/h1H3,(H,6,7,8);2*1H3,(H,3,4);;/q;;;2*+1/p-2
InChIKey
DMBISIMVTKYLNW-UHFFFAOYSA-L
Compound name
[2-acetamido-4-(acetyloxymercurio)-1,3-thiazol-5-yl]-acetyloxymercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

661.97235 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 662.97963 236.9
[M+Na]+ 684.96157 240.6
[M-H]- 660.96507 236.6
[M+NH4]+ 680.00617 249.0
[M+K]+ 700.93551 237.6
[M+H-H2O]+ 644.96961 226.2
[M+HCOO]- 706.97055 250.1
[M+CH3COO]- 720.98620 214.2
[M+Na-2H]- 682.94702 227.4
[M]+ 661.97180 243.8
[M]- 661.97290 243.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.