CID 512329

134333-69-0

Structural Information

Molecular Formula
C13H13BrN2O6
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C3=CC=C(O3)Br)CO)O
InChI
InChI=1S/C13H13BrN2O6/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
SDIRBUIWZUCLRP-JVUFJMBOSA-N
Compound name
5-(5-bromofuran-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

4
References

0
Patents

371.9957 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.00298 173.4
[M+Na]+ 394.98492 185.4
[M-H]- 370.98842 181.9
[M+NH4]+ 390.02952 186.0
[M+K]+ 410.95886 175.8
[M+H-H2O]+ 354.99296 173.0
[M+HCOO]- 416.99390 188.3
[M+CH3COO]- 431.00955 202.6
[M+Na-2H]- 392.97037 173.9
[M]+ 371.99515 193.0
[M]- 371.99625 193.0
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.