CID 16682984

Nsc 39258

Structural Information

Molecular Formula
C9H10HgN4O4
SMILES
CC(=O)O[Hg]N1C(=O)C=NC2=C1N(C(=O)N2C)C
InChI
InChI=1S/C7H8N4O2.C2H4O2.Hg/c1-10-5-6(11(2)7(10)13)9-4(12)3-8-5;1-2(3)4;/h3H,1-2H3,(H,9,12);1H3,(H,3,4);/q;;+2/p-2
InChIKey
WMZHBFXXMHFCRO-UHFFFAOYSA-L
Compound name
acetyloxy-(1,3-dimethyl-2,5-dioxoimidazo[4,5-b]pyrazin-4-yl)mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.04086 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.04814 188.6
[M+Na]+ 463.03008 201.0
[M-H]- 439.03358 188.4
[M+NH4]+ 458.07468 202.0
[M+K]+ 479.00402 197.2
[M+H-H2O]+ 423.03812 178.8
[M+HCOO]- 485.03906 207.6
[M+CH3COO]- 499.05471 202.3
[M+Na-2H]- 461.01553 189.0
[M]+ 440.04031 196.6
[M]- 440.04141 196.6
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.