CID 512169

5-bromo-1-[(1r,3s,4r)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C10H13BrN2O4
SMILES
C1[C@H](C[C@@H]([C@H]1CO)O)N2C=C(C(=O)NC2=O)Br
InChI
InChI=1S/C10H13BrN2O4/c11-7-3-13(10(17)12-9(7)16)6-1-5(4-14)8(15)2-6/h3,5-6,8,14-15H,1-2,4H2,(H,12,16,17)/t5-,6-,8+/m1/s1
InChIKey
QHHYJBCNPLKREM-JKMUOGBPSA-N
Compound name
5-bromo-1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

304.00586 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.01314 156.6
[M+Na]+ 326.99508 168.7
[M-H]- 302.99858 160.3
[M+NH4]+ 322.03968 173.0
[M+K]+ 342.96902 156.1
[M+H-H2O]+ 287.00312 155.9
[M+HCOO]- 349.00406 171.9
[M+CH3COO]- 363.01971 191.5
[M+Na-2H]- 324.98053 158.5
[M]+ 304.00531 172.6
[M]- 304.00641 172.6
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.