CID 459904

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

Structural Information

Molecular Formula
C11H17N3O4
SMILES
CNC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H](C(C2)O)CO
InChI
InChI=1S/C11H17N3O4/c1-12-8-4-14(11(18)13-10(8)17)7-2-6(5-15)9(16)3-7/h4,6-7,9,12,15-16H,2-3,5H2,1H3,(H,13,17,18)/t6-,7-,9?/m1/s1
InChIKey
TXTMUCREBBBNPR-UMPGHQJDSA-N
Compound name
1-[(1R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-(methylamino)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

255.1219 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.12918 155.4
[M+Na]+ 278.11112 163.6
[M-H]- 254.11462 156.4
[M+NH4]+ 273.15572 169.6
[M+K]+ 294.08506 159.2
[M+H-H2O]+ 238.11916 148.2
[M+HCOO]- 300.12010 173.6
[M+CH3COO]- 314.13575 190.0
[M+Na-2H]- 276.09657 156.2
[M]+ 255.12135 152.4
[M]- 255.12245 152.4
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.