CID 6479148

Chembl3143588

Structural Information

Molecular Formula
C15H22N2O5
SMILES
CC(C)(C)/C=C/C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C15H22N2O5/c1-15(2,3)5-4-9-7-17(14(21)16-13(9)20)12-6-10(19)11(8-18)22-12/h4-5,7,10-12,18-19H,6,8H2,1-3H3,(H,16,20,21)/b5-4+/t10-,11+,12+/m0/s1
InChIKey
FXSWFQQUZOVBRM-MRPUBWEVSA-N
Compound name
5-[(E)-3,3-dimethylbut-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

1
References

0
Patents

310.15286 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.16014 172.6
[M+Na]+ 333.14208 180.7
[M-H]- 309.14558 174.0
[M+NH4]+ 328.18668 183.7
[M+K]+ 349.11602 176.9
[M+H-H2O]+ 293.15012 166.0
[M+HCOO]- 355.15106 186.3
[M+CH3COO]- 369.16671 197.6
[M+Na-2H]- 331.12753 172.7
[M]+ 310.15231 172.5
[M]- 310.15341 172.5
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.