CID 6475469

(2'z)-1-(2-deoxy-2-chloromethylene-.beta.-d-erythropentofuranosyl)uracil

Structural Information

Molecular Formula
C9H9ClN2O5
SMILES
C1=CN(C(=O)NC1=O)[C@H]2/C(=C\Cl)/[C@@H]([C@H](O2)O)O
InChI
InChI=1S/C9H9ClN2O5/c10-3-4-6(14)8(15)17-7(4)12-2-1-5(13)11-9(12)16/h1-3,6-8,14-15H,(H,11,13,16)/b4-3-/t6-,7+,8-/m0/s1
InChIKey
DORPUBZGGCDUCI-YTUSVYGESA-N
Compound name
1-[(2R,3Z,4S,5S)-3-(chloromethylidene)-4,5-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.02 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.02728 151.2
[M+Na]+ 283.00922 162.1
[M-H]- 259.01272 153.1
[M+NH4]+ 278.05382 165.0
[M+K]+ 298.98316 157.4
[M+H-H2O]+ 243.01726 145.3
[M+HCOO]- 305.01820 163.8
[M+CH3COO]- 319.03385 183.6
[M+Na-2H]- 280.99467 152.7
[M]+ 260.01945 151.4
[M]- 260.02055 151.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.