CID 512330

134333-71-4

Structural Information

Molecular Formula
C13H13ClN2O6
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C3=CC=C(O3)Cl)CO)O
InChI
InChI=1S/C13H13ClN2O6/c14-10-2-1-8(21-10)6-4-16(13(20)15-12(6)19)11-3-7(18)9(5-17)22-11/h1-2,4,7,9,11,17-18H,3,5H2,(H,15,19,20)/t7-,9+,11+/m0/s1
InChIKey
XMWRRADZWTVZNE-JVUFJMBOSA-N
Compound name
5-(5-chlorofuran-2-yl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

328.0462 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.05348 169.1
[M+Na]+ 351.03542 179.6
[M-H]- 327.03892 175.3
[M+NH4]+ 346.08002 180.3
[M+K]+ 367.00936 176.1
[M+H-H2O]+ 311.04346 163.0
[M+HCOO]- 373.04440 181.4
[M+CH3COO]- 387.06005 197.3
[M+Na-2H]- 349.02087 168.1
[M]+ 328.04565 172.4
[M]- 328.04675 172.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.