CID 5274004

2,4(1h,3h)-pyrimidinedione, 5-[(e)-2-(1-hydroxycyclopentyl)ethenyl]-1-[(2r,5s)-tetrahydro-5-(hydroxymethyl)-2-furanyl]-

Structural Information

Molecular Formula
C16H22N2O5
SMILES
C1CCC(C1)(/C=C/C2=CN(C(=O)NC2=O)[C@H]3CC[C@H](O3)CO)O
InChI
InChI=1S/C16H22N2O5/c19-10-12-3-4-13(23-12)18-9-11(14(20)17-15(18)21)5-8-16(22)6-1-2-7-16/h5,8-9,12-13,19,22H,1-4,6-7,10H2,(H,17,20,21)/b8-5+/t12-,13+/m0/s1
InChIKey
FTHFXJLVQMVLQH-DGYDABPTSA-N
Compound name
5-[(E)-2-(1-hydroxycyclopentyl)ethenyl]-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.15286 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.16014 172.7
[M+Na]+ 345.14208 179.0
[M-H]- 321.14558 176.7
[M+NH4]+ 340.18668 186.1
[M+K]+ 361.11602 174.9
[M+H-H2O]+ 305.15012 165.9
[M+HCOO]- 367.15106 187.0
[M+CH3COO]- 381.16671 196.0
[M+Na-2H]- 343.12753 171.0
[M]+ 322.15231 169.0
[M]- 322.15341 169.0
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.