CID 6474951

Dioxolane nucleoside

Structural Information

Molecular Formula
C10H11BrN2O5
SMILES
C1[C@H](O[C@H](O1)CO)N2C=C(C(=O)NC2=O)/C=C/Br
InChI
InChI=1S/C10H11BrN2O5/c11-2-1-6-3-13(10(16)12-9(6)15)7-5-17-8(4-14)18-7/h1-3,7-8,14H,4-5H2,(H,12,15,16)/b2-1+/t7-,8-/m0/s1
InChIKey
YNWUIBSEOAWSHW-HIQWKFPQSA-N
Compound name
5-[(E)-2-bromoethenyl]-1-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

268
Patents

317.98514 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.99242 159.3
[M+Na]+ 340.97436 171.3
[M-H]- 316.97786 165.1
[M+NH4]+ 336.01896 173.0
[M+K]+ 356.94830 161.1
[M+H-H2O]+ 300.98240 158.3
[M+HCOO]- 362.98334 174.6
[M+CH3COO]- 376.99899 193.8
[M+Na-2H]- 338.95981 163.5
[M]+ 317.98459 178.5
[M]- 317.98569 178.5
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

patents stripe