CID 5279523

5-bromo-1-[[(1r,2r)-2-(hydroxymethyl)-3-methylene-cyclopropyl]methyl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C10H11BrN2O3
SMILES
C=C1[C@@H]([C@H]1CO)CN2C=C(C(=O)NC2=O)Br
InChI
InChI=1S/C10H11BrN2O3/c1-5-6(7(5)4-14)2-13-3-8(11)9(15)12-10(13)16/h3,6-7,14H,1-2,4H2,(H,12,15,16)/t6-,7-/m0/s1
InChIKey
CZGMKGNRDSFLTN-BQBZGAKWSA-N
Compound name
5-bromo-1-[[(1R,2R)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

285.9953 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.00258 155.2
[M+Na]+ 308.98452 170.9
[M-H]- 284.98802 161.1
[M+NH4]+ 304.02912 167.3
[M+K]+ 324.95846 155.8
[M+H-H2O]+ 268.99256 154.0
[M+HCOO]- 330.99350 173.1
[M+CH3COO]- 345.00915 195.6
[M+Na-2H]- 306.96997 159.5
[M]+ 285.99475 175.6
[M]- 285.99585 175.6
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.