CID 459911

5-bromo-1-[(1r,2s,4r)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C10H13BrN2O5
SMILES
C1[C@@H](C([C@H]([C@@H]1N2C=C(C(=O)NC2=O)Br)O)O)CO
InChI
InChI=1S/C10H13BrN2O5/c11-5-2-13(10(18)12-9(5)17)6-1-4(3-14)7(15)8(6)16/h2,4,6-8,14-16H,1,3H2,(H,12,17,18)/t4-,6-,7?,8+/m1/s1
InChIKey
XASGHKUSSKNFGM-OBXQVCPESA-N
Compound name
5-bromo-1-[(1R,2S,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.0008 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.00808 159.3
[M+Na]+ 342.99002 171.4
[M-H]- 318.99352 162.0
[M+NH4]+ 338.03462 174.4
[M+K]+ 358.96396 158.6
[M+H-H2O]+ 302.99806 158.6
[M+HCOO]- 364.99900 173.2
[M+CH3COO]- 379.01465 193.0
[M+Na-2H]- 340.97547 160.2
[M]+ 320.00025 175.2
[M]- 320.00135 175.2
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.