CID 459901

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

Structural Information

Molecular Formula
C11H16N2O5
SMILES
CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H](C([C@H]2O)O)CO
InChI
InChI=1S/C11H16N2O5/c1-5-3-13(11(18)12-10(5)17)7-2-6(4-14)8(15)9(7)16/h3,6-9,14-16H,2,4H2,1H3,(H,12,17,18)/t6-,7-,8?,9+/m1/s1
InChIKey
OHFMYSNQKZBRNM-MWBBWYEJSA-N
Compound name
1-[(1R,2S,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

256.10593 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11321 155.0
[M+Na]+ 279.09515 164.4
[M-H]- 255.09865 155.1
[M+NH4]+ 274.13975 169.0
[M+K]+ 295.06909 159.9
[M+H-H2O]+ 239.10319 148.7
[M+HCOO]- 301.10413 170.8
[M+CH3COO]- 315.11978 186.2
[M+Na-2H]- 277.08060 154.2
[M]+ 256.10538 152.8
[M]- 256.10648 152.8
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.