CID 512183

[(1r,2r,3r,5r)-2-hydroxy-3-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)cyclopentyl] pentanoate

Structural Information

Molecular Formula
C16H24N2O6
SMILES
CCCCC(=O)O[C@@H]1[C@@H](C[C@@H]([C@H]1O)CO)N2C=C(C(=O)NC2=O)C
InChI
InChI=1S/C16H24N2O6/c1-3-4-5-12(20)24-14-11(6-10(8-19)13(14)21)18-7-9(2)15(22)17-16(18)23/h7,10-11,13-14,19,21H,3-6,8H2,1-2H3,(H,17,22,23)/t10-,11-,13-,14-/m1/s1
InChIKey
UWONRTYPXCXINA-HBJVGIJOSA-N
Compound name
[(1R,2R,3R,5R)-2-hydroxy-3-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl] pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.16342 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.17070 177.2
[M+Na]+ 363.15264 184.6
[M-H]- 339.15614 177.9
[M+NH4]+ 358.19724 188.3
[M+K]+ 379.12658 180.6
[M+H-H2O]+ 323.16068 169.9
[M+HCOO]- 385.16162 192.2
[M+CH3COO]- 399.17727 205.2
[M+Na-2H]- 361.13809 173.5
[M]+ 340.16287 178.6
[M]- 340.16397 178.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.