CID 5272747

Smbc

Structural Information

Molecular Formula
C10H14BrN3O4
SMILES
C[C@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)Br)CO)O
InChI
InChI=1S/C10H14BrN3O4/c1-4-7(16)6(3-15)18-9(4)14-2-5(11)8(12)13-10(14)17/h2,4,6-7,9,15-16H,3H2,1H3,(H2,12,13,17)/t4-,6+,7-,9+/m0/s1
InChIKey
GMWTXQKKRDUVQG-WOPPDYDQSA-N
Compound name
4-amino-5-bromo-1-[(2R,3S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

521
Patents

319.01678 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.02406 162.4
[M+Na]+ 342.00600 174.5
[M-H]- 318.00950 167.7
[M+NH4]+ 337.05060 177.2
[M+K]+ 357.97994 163.4
[M+H-H2O]+ 302.01404 160.7
[M+HCOO]- 364.01498 178.3
[M+CH3COO]- 378.03063 200.2
[M+Na-2H]- 339.99145 164.0
[M]+ 319.01623 180.0
[M]- 319.01733 180.0
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

patents stripe