CID 454599

Flt-mep

Structural Information

Molecular Formula
C11H16FN2O6P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(C)O)F
InChI
InChI=1S/C11H16FN2O6P/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,17,18)(H,13,15,16)/t7-,8+,9+/m0/s1
InChIKey
ZDXSFTCMMYNLEF-DJLDLDEBSA-N
Compound name
[(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

322.073 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.08028 167.6
[M+Na]+ 345.06222 176.3
[M-H]- 321.06572 168.1
[M+NH4]+ 340.10682 178.9
[M+K]+ 361.03616 174.7
[M+H-H2O]+ 305.07026 157.6
[M+HCOO]- 367.07120 188.1
[M+CH3COO]- 381.08685 201.0
[M+Na-2H]- 343.04767 166.3
[M]+ 322.07245 169.0
[M]- 322.07355 169.0
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

patents stripe