CID 6481567

5-(tert-butoxymethyl)-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C14H22N2O6
SMILES
CC(C)(C)OCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C14H22N2O6/c1-14(2,3)21-7-8-5-16(13(20)15-12(8)19)11-4-9(18)10(6-17)22-11/h5,9-11,17-18H,4,6-7H2,1-3H3,(H,15,19,20)/t9-,10+,11+/m0/s1
InChIKey
SHCKCCFWRNKWEF-HBNTYKKESA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(2-methylpropan-2-yl)oxymethyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.1478 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.15508 171.1
[M+Na]+ 337.13702 179.0
[M-H]- 313.14052 172.6
[M+NH4]+ 332.18162 181.9
[M+K]+ 353.11096 176.7
[M+H-H2O]+ 297.14506 164.4
[M+HCOO]- 359.14600 185.1
[M+CH3COO]- 373.16165 198.3
[M+Na-2H]- 335.12247 172.0
[M]+ 314.14725 172.8
[M]- 314.14835 172.8
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.