CID 5274297

1,1,1-trifluoro-n-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl]methanesulfonamide

Structural Information

Molecular Formula
C11H14F3N3O6S
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CNS(=O)(=O)C(F)(F)F)O
InChI
InChI=1S/C11H14F3N3O6S/c1-5-4-17(10(20)16-9(5)19)8-2-6(18)7(23-8)3-15-24(21,22)11(12,13)14/h4,6-8,15,18H,2-3H2,1H3,(H,16,19,20)/t6-,7+,8+/m0/s1
InChIKey
ZSDKQBMYLWQXCX-XLPZGREQSA-N
Compound name
1,1,1-trifluoro-N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.05554 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.06282 175.8
[M+Na]+ 396.04476 184.9
[M-H]- 372.04826 175.0
[M+NH4]+ 391.08936 184.7
[M+K]+ 412.01870 181.1
[M+H-H2O]+ 356.05280 167.2
[M+HCOO]- 418.05374 184.0
[M+CH3COO]- 432.06939 207.9
[M+Na-2H]- 394.03021 176.6
[M]+ 373.05499 174.3
[M]- 373.05609 174.3
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.