CID 6479147

Chembl3143630

Structural Information

Molecular Formula
C15H22N2O5
SMILES
CCCC/C=C/C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C15H22N2O5/c1-2-3-4-5-6-10-8-17(15(21)16-14(10)20)13-7-11(19)12(9-18)22-13/h5-6,8,11-13,18-19H,2-4,7,9H2,1H3,(H,16,20,21)/b6-5+/t11-,12+,13+/m0/s1
InChIKey
BYVOBWMFHFGNQF-NEFWEQRUSA-N
Compound name
5-[(E)-hex-1-enyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

310.15286 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.16014 172.0
[M+Na]+ 333.14208 179.7
[M-H]- 309.14558 173.0
[M+NH4]+ 328.18668 182.9
[M+K]+ 349.11602 175.2
[M+H-H2O]+ 293.15012 164.5
[M+HCOO]- 355.15106 187.3
[M+CH3COO]- 369.16671 197.8
[M+Na-2H]- 331.12753 170.9
[M]+ 310.15231 172.4
[M]- 310.15341 172.4
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.