CID 16683868

Nsc635979

Structural Information

Molecular Formula
C16H19Hg2NO8
SMILES
CC(=O)CC(=O)NC1=C(C(=CC(=C1OC)[Hg]OC(=O)C)OC)[Hg]OC(=O)C
InChI
InChI=1S/C12H13NO4.2C2H4O2.2Hg/c1-8(14)6-12(15)13-10-7-9(16-2)4-5-11(10)17-3;2*1-2(3)4;;/h4H,6H2,1-3H3,(H,13,15);2*1H3,(H,3,4);;/q;;;2*+1/p-2
InChIKey
IMZOVOAJFUBGPR-UHFFFAOYSA-L
Compound name
acetyloxy-[4-(acetyloxymercurio)-2,5-dimethoxy-3-(3-oxobutanoylamino)phenyl]mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

757.05237 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 758.05965 257.4
[M+Na]+ 780.04159 259.7
[M-H]- 756.04509 257.8
[M+NH4]+ 775.08619 278.8
[M+K]+ 796.01553 258.8
[M+H-H2O]+ 740.04963 245.9
[M+HCOO]- 802.05057 280.4
[M+CH3COO]- 816.06622 238.1
[M+Na-2H]- 778.02704 247.0
[M]+ 757.05182 267.3
[M]- 757.05292 267.3
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.