CID 6478667

Bvisoddu

Structural Information

Molecular Formula
C11H13BrN2O4
SMILES
C1[C@@H](CO[C@@H]1CO)N2C=C(C(=O)NC2=O)/C=C/Br
InChI
InChI=1S/C11H13BrN2O4/c12-2-1-7-4-14(11(17)13-10(7)16)8-3-9(5-15)18-6-8/h1-2,4,8-9,15H,3,5-6H2,(H,13,16,17)/b2-1+/t8-,9-/m0/s1
InChIKey
PUVOYSWPIMMHQU-XOINZRLQSA-N
Compound name
5-[(E)-2-bromoethenyl]-1-[(3S,5S)-5-(hydroxymethyl)oxolan-3-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.00586 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.01314 160.3
[M+Na]+ 338.99508 172.1
[M-H]- 314.99858 165.4
[M+NH4]+ 334.03968 175.4
[M+K]+ 354.96902 160.3
[M+H-H2O]+ 299.00312 159.2
[M+HCOO]- 361.00406 176.1
[M+CH3COO]- 375.01971 194.1
[M+Na-2H]- 336.98053 163.4
[M]+ 316.00531 177.9
[M]- 316.00641 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

literature stripe

Patent stripe

No patent data available for this compound.