CID 121014155

19556-52-6

Structural Information

Molecular Formula
C12H15BrN2O5
SMILES
CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=CC(=O)NC3=O)CBr)C
InChI
InChI=1S/C12H15BrN2O5/c1-12(2)19-8-6(5-13)18-10(9(8)20-12)15-4-3-7(16)14-11(15)17/h3-4,6,8-10H,5H2,1-2H3,(H,14,16,17)/t6-,8-,9-,10-/m1/s1
InChIKey
OFUBUBFFUODMSG-PEBGCTIMSA-N
Compound name
1-[(3aR,4R,6S,6aS)-6-(bromomethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.01642 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.02370 167.2
[M+Na]+ 369.00564 180.6
[M-H]- 345.00914 176.2
[M+NH4]+ 364.05024 184.1
[M+K]+ 384.97958 173.1
[M+H-H2O]+ 329.01368 168.7
[M+HCOO]- 391.01462 181.6
[M+CH3COO]- 405.03027 181.3
[M+Na-2H]- 366.99109 171.2
[M]+ 346.01587 189.3
[M]- 346.01697 189.3
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.