CID 453014

Mesyl-flt

Structural Information

Molecular Formula
C11H15FN2O6S
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COS(=O)(=O)C)F
InChI
InChI=1S/C11H15FN2O6S/c1-6-4-14(11(16)13-10(6)15)9-3-7(12)8(20-9)5-19-21(2,17)18/h4,7-9H,3,5H2,1-2H3,(H,13,15,16)/t7-,8+,9+/m0/s1
InChIKey
KIEUYYVPJIIRHO-DJLDLDEBSA-N
Compound name
[(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

322.06348 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.07076 166.0
[M+Na]+ 345.05270 176.5
[M-H]- 321.05620 169.3
[M+NH4]+ 340.09730 178.3
[M+K]+ 361.02664 173.9
[M+H-H2O]+ 305.06074 159.0
[M+HCOO]- 367.06168 178.5
[M+CH3COO]- 381.07733 199.5
[M+Na-2H]- 343.03815 166.0
[M]+ 322.06293 170.1
[M]- 322.06403 170.1
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

patents stripe