CID 512179

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

Structural Information

Molecular Formula
C11H16N2O6
SMILES
C1[C@@H]([C@H]([C@H]([C@@H]1N2C=C(C(=O)NC2=O)CO)O)O)CO
InChI
InChI=1S/C11H16N2O6/c14-3-5-1-7(9(17)8(5)16)13-2-6(4-15)10(18)12-11(13)19/h2,5,7-9,14-17H,1,3-4H2,(H,12,18,19)/t5-,7-,8-,9+/m1/s1
InChIKey
BMGFRCQWFBQPLV-YYNOVJQHSA-N
Compound name
1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-(hydroxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.10083 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.10811 158.0
[M+Na]+ 295.09005 166.6
[M-H]- 271.09355 156.7
[M+NH4]+ 290.13465 170.5
[M+K]+ 311.06399 162.0
[M+H-H2O]+ 255.09809 151.6
[M+HCOO]- 317.09903 172.4
[M+CH3COO]- 331.11468 186.6
[M+Na-2H]- 293.07550 156.9
[M]+ 272.10028 155.4
[M]- 272.10138 155.4
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.