CID 60613

Cidofovir

Structural Information

Molecular Formula
C8H14N3O6P
SMILES
C1=CN(C(=O)N=C1N)C[C@@H](CO)OCP(=O)(O)O
InChI
InChI=1S/C8H14N3O6P/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16)/t6-/m0/s1
InChIKey
VWFCHDSQECPREK-LURJTMIESA-N
Compound name
[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

2057
References

40527
Patents

279.062 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.06928 159.5
[M+Na]+ 302.05122 165.8
[M-H]- 278.05472 155.1
[M+NH4]+ 297.09582 170.4
[M+K]+ 318.02516 164.3
[M+H-H2O]+ 262.05926 149.9
[M+HCOO]- 324.06020 181.4
[M+CH3COO]- 338.07585 192.9
[M+Na-2H]- 300.03667 160.9
[M]+ 279.06145 160.2
[M]- 279.06255 160.2
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

patents stripe