CID 71308358

Hg-ctp

Structural Information

Molecular Formula
C9H15HgN3O14P3
SMILES
C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N)[Hg]
InChI
InChI=1S/C9H15N3O14P3.Hg/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18;/h2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18);/t4-,6-,7-,8-;/m1./s1
InChIKey
HEHOFJICVBUXGE-IAIGYFSYSA-N
Compound name
[4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-5-yl]mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

683.9473 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 684.95458 201.3
[M+Na]+ 706.93652 204.6
[M+NH4]+ 701.98112 201.5
[M+K]+ 722.91046 203.9
[M-H]- 682.94002 194.5
[M+Na-2H]- 704.92197 203.2
[M]+ 683.94675 199.2
[M]- 683.94785 199.2
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.