CID 452881

133488-28-5

Structural Information

Molecular Formula
C10H14BrN3O5
SMILES
C1[C@H]([C@H](O[C@@H]1N2C=C(C(=O)NC2=O)Br)[C@@H](CO)O)N
InChI
InChI=1S/C10H14BrN3O5/c11-4-2-14(10(18)13-9(4)17)7-1-5(12)8(19-7)6(16)3-15/h2,5-8,15-16H,1,3,12H2,(H,13,17,18)/t5-,6-,7+,8+/m1/s1
InChIKey
NEWXDJSLWWVNAR-NGJRWZKOSA-N
Compound name
1-[(2S,4R,5S)-4-amino-5-[(1R)-1,2-dihydroxyethyl]oxolan-2-yl]-5-bromopyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

335.0117 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.01898 164.3
[M+Na]+ 358.00092 174.6
[M-H]- 334.00442 167.9
[M+NH4]+ 353.04552 177.2
[M+K]+ 373.97486 163.3
[M+H-H2O]+ 318.00896 162.3
[M+HCOO]- 380.00990 178.1
[M+CH3COO]- 394.02555 199.5
[M+Na-2H]- 355.98637 165.1
[M]+ 335.01115 179.8
[M]- 335.01225 179.8
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.