CID 452877

133488-24-1

Structural Information

Molecular Formula

C₁₀H₁₅N₃O₅

SMILES

C1[C@H]([C@H](O[C@@H]1N2C=CC(=O)NC2=O)[C@@H](CO)O)N

InChI

InChI=1S/C10H15N3O5/c11-5-3-8(18-9(5)6(15)4-14)13-2-1-7(16)12-10(13)17/h1-2,5-6,8-9,14-15H,3-4,11H2,(H,12,16,17)/t5-,6-,8+,9+/m1/s1

InChIKey

HDLCWWILKKWNET-YGBUUZGLSA-N

Compound name

1-[(2S,4R,5S)-4-amino-5-[(1R)-1,2-dihydroxyethyl]oxolan-2-yl]pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 257.10117 Da
Monoisotopic Mass: -1.8
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]+	258.108446	155.0
[M+Na]+	280.090388	162.3
[M-H]-	256.093894	156.0
[M+NH4]+	275.134993	167.0
[M+K]+	296.064328	159.8
[M+H-H2O]+	240.098430	147.6
[M+HCOO]-	302.099371	171.1
[M+CH3COO]-	316.115021	188.8
[M+Na-2H]-	278.075836	155.4
[M]+	257.10062142	151.7
[M]-	257.10171858	151.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.