CID 487684

222737-84-0

Structural Information

Molecular Formula
C11H14BrN5O4
SMILES
CCOC1=NC(=O)C(=CN1[C@H]2C[C@@H]([C@H](O2)CN=[N+]=[N-])O)Br
InChI
InChI=1S/C11H14BrN5O4/c1-2-20-11-15-10(19)6(12)5-17(11)9-3-7(18)8(21-9)4-14-16-13/h5,7-9,18H,2-4H2,1H3/t7-,8+,9+/m0/s1
InChIKey
CVUAEFMUSUFHAU-DJLDLDEBSA-N
Compound name
1-[(2R,4S,5R)-5-(azidomethyl)-4-hydroxyoxolan-2-yl]-5-bromo-2-ethoxypyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.02292 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.03020 171.2
[M+Na]+ 382.01214 181.4
[M-H]- 358.01564 180.0
[M+NH4]+ 377.05674 185.1
[M+K]+ 397.98608 166.6
[M+H-H2O]+ 342.02018 171.5
[M+HCOO]- 404.02112 194.1
[M+CH3COO]- 418.03677 208.6
[M+Na-2H]- 379.99759 178.7
[M]+ 359.02237 190.1
[M]- 359.02347 190.1
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.