CID 460252

Jca-304

Structural Information

Molecular Formula
C16H24FN4O8PS
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(NCC(=O)OC)SCC(=O)NC)F
InChI
InChI=1S/C16H24FN4O8PS/c1-9-6-21(16(25)20-15(9)24)13-4-10(17)11(29-13)7-28-30(26,19-5-14(23)27-3)31-8-12(22)18-2/h6,10-11,13H,4-5,7-8H2,1-3H3,(H,18,22)(H,19,26)(H,20,24,25)/t10-,11+,13+,30?/m0/s1
InChIKey
MEVWUZWMJITSRV-SDIPOSHTSA-N
Compound name
methyl 2-[[[(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[2-(methylamino)-2-oxoethyl]sulfanylphosphoryl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.10364 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.11092 201.7
[M+Na]+ 505.09286 205.2
[M-H]- 481.09636 202.6
[M+NH4]+ 500.13746 206.3
[M+K]+ 521.06680 204.4
[M+H-H2O]+ 465.10090 190.3
[M+HCOO]- 527.10184 218.2
[M+CH3COO]- 541.11749 236.2
[M+Na-2H]- 503.07831 197.7
[M]+ 482.10309 206.8
[M]- 482.10419 206.8
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.