CID 454188

4-amino-5-bromo-1-[(2r,4r)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one

Structural Information

Molecular Formula
C8H10BrN3O4
SMILES
C1[C@@H](O[C@@H](O1)CO)N2C=C(C(=NC2=O)N)Br
InChI
InChI=1S/C8H10BrN3O4/c9-4-1-12(8(14)11-7(4)10)5-3-15-6(2-13)16-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6-/m1/s1
InChIKey
YSEUJPGXPHRMRF-PHDIDXHHSA-N
Compound name
4-amino-5-bromo-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.98547 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.99275 154.1
[M+Na]+ 313.97469 166.1
[M-H]- 289.97819 160.9
[M+NH4]+ 309.01929 169.0
[M+K]+ 329.94863 157.0
[M+H-H2O]+ 273.98273 152.4
[M+HCOO]- 335.98367 171.3
[M+CH3COO]- 349.99932 194.4
[M+Na-2H]- 311.96014 159.0
[M]+ 290.98492 172.8
[M]- 290.98602 172.8
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.