CID 451562

D4clu

Structural Information

Molecular Formula

C₉H₉ClN₂O₄

SMILES

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

InChI

InChI=1S/C9H9ClN2O4/c10-6-3-12(9(15)11-8(6)14)7-2-1-5(4-13)16-7/h1-3,5,7,13H,4H2,(H,11,14,15)/t5-,7+/m0/s1

InChIKey

JYNQRQBBMYJMLF-CAHLUQPWSA-N

Compound name

5-chloro-1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 1
Patents: 244.02509 Da
Monoisotopic Mass: -0.3
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]+	245.03237	147.1
[M+Na]+	267.01431	158.5
[M-H]-	243.01781	150.2
[M+NH4]+	262.05891	162.1
[M+K]+	282.98825	154.3
[M+H-H2O]+	227.02235	140.7
[M+HCOO]-	289.02329	162.3
[M+CH3COO]-	303.03894	183.2
[M+Na-2H]-	264.99976	150.5
[M]+	244.02454	149.4
[M]-	244.02564	149.4

Literature stripe

literature stripe

Patent stripe

patents stripe