CID 460264

Flt-5'-opo2h2 gly deriv.

Structural Information

Molecular Formula
C16H24FN4O9P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(NCC(=O)OC)NCC(=O)OC)F
InChI
InChI=1S/C16H24FN4O9P/c1-9-7-21(16(25)20-15(9)24)12-4-10(17)11(30-12)8-29-31(26,18-5-13(22)27-2)19-6-14(23)28-3/h7,10-12H,4-6,8H2,1-3H3,(H2,18,19,26)(H,20,24,25)/t10-,11+,12+/m0/s1
InChIKey
FAFLXPZMUQLUJM-QJPTWQEYSA-N
Compound name
methyl 2-[[[(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[(2-methoxy-2-oxoethyl)amino]phosphoryl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.1265 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.13378 197.7
[M+Na]+ 489.11572 201.5
[M-H]- 465.11922 199.0
[M+NH4]+ 484.16032 202.4
[M+K]+ 505.08966 202.6
[M+H-H2O]+ 449.12376 185.9
[M+HCOO]- 511.12470 218.9
[M+CH3COO]- 525.14035 235.3
[M+Na-2H]- 487.10117 195.5
[M]+ 466.12595 202.4
[M]- 466.12705 202.4
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.