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 172.1
[M+Na]+ 357.00564 173.0
[M+NH4]+ 352.05024 173.0
[M+K]+ 372.97958 176.9
[M-H]- 333.00914 170.7
[M+Na-2H]- 354.99109 170.3
[M]+ 334.01587 170.2
[M]- 334.01697 170.2
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.