CID 45024207

Calcium 5'-ribonucleotides

Structural Information

Molecular Formula

C₁₀H₁₄N₅O₈P

SMILES

C1=NC2C(=NC(=NC2=O)N)N1C3C(C(C(O3)COP(=O)(O)O)O)O

InChI

InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-6,9,16-17H,1H2,(H2,11,14,18)(H2,19,20,21)

InChIKey

GZEMJRJMFKPWHB-UHFFFAOYSA-N

Compound name

[5-(2-amino-6-oxo-5H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 363.058 Da
Monoisotopic Mass: -4.6
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]+	364.065276	175.8
[M+Na]+	386.047218	181.9
[M-H]-	362.050724	173.6
[M+NH4]+	381.091823	183.0
[M+K]+	402.021158	181.8
[M+H-H2O]+	346.055260	166.8
[M+HCOO]-	408.056201	191.1
[M+CH3COO]-	422.071851	208.0
[M+Na-2H]-	384.032666	173.9
[M]+	363.05745142	175.3
[M]-	363.05854858	175.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.