CID 451830

99785-51-0

Structural Information

Molecular Formula
C10H13BrN2O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)Br
InChI
InChI=1S/C10H13BrN2O4/c1-5-3-13(10(16)12-9(5)15)8-2-6(11)7(4-14)17-8/h3,6-8,14H,2,4H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1
InChIKey
VSYTWOCFTNWUQF-XLPZGREQSA-N
Compound name
1-[(2R,4S,5R)-4-bromo-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

304.00586 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.01314 156.7
[M+Na]+ 326.99508 169.4
[M-H]- 302.99858 162.3
[M+NH4]+ 322.03968 172.6
[M+K]+ 342.96902 158.4
[M+H-H2O]+ 287.00312 155.9
[M+HCOO]- 349.00406 172.6
[M+CH3COO]- 363.01971 193.8
[M+Na-2H]- 324.98053 159.7
[M]+ 304.00531 175.1
[M]- 304.00641 175.1
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

No patent data available for this compound.