CID 451951

4',5-acyclo-thymidine

Structural Information

Molecular Formula

C₁₀H₁₆N₂O₅

SMILES

CC1=CN(C(=O)NC1=O)C(CCO)OCCO

InChI

InChI=1S/C10H16N2O5/c1-7-6-12(10(16)11-9(7)15)8(2-3-13)17-5-4-14/h6,8,13-14H,2-5H2,1H3,(H,11,15,16)

InChIKey

CHQLZIBZRVIBFN-UHFFFAOYSA-N

Compound name

1-[3-hydroxy-1-(2-hydroxyethoxy)propyl]-5-methylpyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 244.10593 Da
Monoisotopic Mass: -1.4
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]+	245.11321	151.6
[M+Na]+	267.09515	159.9
[M-H]-	243.09865	149.0
[M+NH4]+	262.13975	164.6
[M+K]+	283.06909	156.9
[M+H-H2O]+	227.10319	144.6
[M+HCOO]-	289.10413	169.1
[M+CH3COO]-	303.11978	185.7
[M+Na-2H]-	265.08060	154.5
[M]+	244.10538	153.6
[M]-	244.10648	153.6

Literature stripe

literature stripe

Patent stripe

patents stripe