CID 5272748

Smbu

Structural Information

Molecular Formula
C10H13BrN2O5
SMILES
C[C@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)CO)O
InChI
InChI=1S/C10H13BrN2O5/c1-4-7(15)6(3-14)18-9(4)13-2-5(11)8(16)12-10(13)17/h2,4,6-7,9,14-15H,3H2,1H3,(H,12,16,17)/t4-,6+,7-,9+/m0/s1
InChIKey
WBRQPTDROSAXCP-WOPPDYDQSA-N
Compound name
5-bromo-1-[(2R,3S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

320.0008 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.00808 159.6
[M+Na]+ 342.99002 172.3
[M-H]- 318.99352 164.2
[M+NH4]+ 338.03462 174.3
[M+K]+ 358.96396 161.1
[M+H-H2O]+ 302.99806 158.9
[M+HCOO]- 364.99900 174.1
[M+CH3COO]- 379.01465 195.2
[M+Na-2H]- 340.97547 161.5
[M]+ 320.00025 177.9
[M]- 320.00135 177.9
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

patents stripe