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: 2060
References: 38166
Patents: 279.062 Da
Monoisotopic Mass: -3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	280.069276	159.5
[M+Na]+	302.051218	165.8
[M-H]-	278.054724	155.1
[M+NH4]+	297.095823	170.4
[M+K]+	318.025158	164.3
[M+H-H2O]+	262.059260	149.9
[M+HCOO]-	324.060201	181.4
[M+CH3COO]-	338.075851	192.9
[M+Na-2H]-	300.036666	160.9
[M]+	279.06145142	160.2
[M]-	279.06254858	160.2

Literature stripe

literature stripe

Patent stripe

patents stripe