CID 5274689

Bvamu

Structural Information

Molecular Formula
C11H14BrN3O5
SMILES
C1=C(C(=O)NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)CO)N)O)/C=C/Br
InChI
InChI=1S/C11H14BrN3O5/c12-2-1-5-3-15(11(19)14-9(5)18)10-8(17)7(13)6(4-16)20-10/h1-3,6-8,10,16-17H,4,13H2,(H,14,18,19)/b2-1+/t6-,7-,8+,10-/m1/s1
InChIKey
JSTYJRXCPDVJAA-HQNLTJAPSA-N
Compound name
1-[(2R,3S,4S,5S)-4-amino-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-2-bromoethenyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.0117 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.01898 167.6
[M+Na]+ 370.00092 179.0
[M-H]- 346.00442 171.4
[M+NH4]+ 365.04552 180.4
[M+K]+ 385.97486 166.4
[M+H-H2O]+ 330.00896 165.7
[M+HCOO]- 392.00990 182.1
[M+CH3COO]- 406.02555 201.5
[M+Na-2H]- 367.98637 168.3
[M]+ 347.01115 183.7
[M]- 347.01225 183.7
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.