CID 128987

Beudr

Structural Information

Molecular Formula
C11H15BrN2O5
SMILES
C1[C@@H]([C@H](O[C@@H]1N2C=C(C(=O)NC2=O)CCBr)CO)O
InChI
InChI=1S/C11H15BrN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h4,7-9,15-16H,1-3,5H2,(H,13,17,18)/t7-,8+,9-/m0/s1
InChIKey
ARAPHVJYXVDNPN-YIZRAAEISA-N
Compound name
5-(2-bromoethyl)-1-[(2S,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

334.01642 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.02370 164.1
[M+Na]+ 357.00564 175.5
[M-H]- 333.00914 168.1
[M+NH4]+ 352.05024 177.9
[M+K]+ 372.97958 164.1
[M+H-H2O]+ 317.01368 162.9
[M+HCOO]- 379.01462 178.3
[M+CH3COO]- 393.03027 196.7
[M+Na-2H]- 354.99109 166.1
[M]+ 334.01587 182.3
[M]- 334.01697 182.3
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.