CID 495224

Nsc646089

Structural Information

Molecular Formula
C14H14F6N2O6
SMILES
C1=C[C@H](O[C@H]1CO)N2C=C(C(=O)NC2=O)C(OCC(F)(F)F)OCC(F)(F)F
InChI
InChI=1S/C14H14F6N2O6/c15-13(16,17)5-26-11(27-6-14(18,19)20)8-3-22(12(25)21-10(8)24)9-2-1-7(4-23)28-9/h1-3,7,9,11,23H,4-6H2,(H,21,24,25)/t7-,9+/m1/s1
InChIKey
YLUDJVOQQJCEMJ-APPZFPTMSA-N
Compound name
5-[bis(2,2,2-trifluoroethoxy)methyl]-1-[(2S,5R)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.0756 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.08288 184.0
[M+Na]+ 443.06482 192.7
[M-H]- 419.06832 179.3
[M+NH4]+ 438.10942 190.6
[M+K]+ 459.03876 189.6
[M+H-H2O]+ 403.07286 172.0
[M+HCOO]- 465.07380 192.0
[M+CH3COO]- 479.08945 215.9
[M+Na-2H]- 441.05027 183.9
[M]+ 420.07505 180.2
[M]- 420.07615 180.2
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.