CID 15573107

5-(chloromercuri)cytidine

Structural Information

Molecular Formula
C9H12ClHgN3O5
SMILES
C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)[Hg]Cl
InChI
InChI=1S/C9H12N3O5.ClH.Hg/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8;;/h2,4,6-8,13-15H,3H2,(H2,10,11,16);1H;/q;;+1/p-1/t4-,6-,7-,8-;;/m1../s1
InChIKey
DEBWUFGKLVMZFT-WFIJOQBCSA-M
Compound name
[4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]-chloromercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.01718 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.02446 198.1
[M+Na]+ 502.00640 206.2
[M-H]- 478.00990 198.1
[M+NH4]+ 497.05100 208.2
[M+K]+ 517.98034 201.3
[M+H-H2O]+ 462.01444 189.8
[M+HCOO]- 524.01538 208.2
[M+CH3COO]- 538.03103 202.5
[M+Na-2H]- 499.99185 194.1
[M]+ 479.01663 198.8
[M]- 479.01773 198.8
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.