CID 468194

Alpha-cf 1428

Structural Information

Molecular Formula
C19H23FN3O8PS
SMILES
CC(C(=O)OC)NP(=O)(OC[C@@H]1C(C[C@H](S1)N2C=C(C(=O)NC2=O)F)O)OC3=CC=CC=C3
InChI
InChI=1S/C19H23FN3O8PS/c1-11(18(26)29-2)22-32(28,31-12-6-4-3-5-7-12)30-10-15-14(24)8-16(33-15)23-9-13(20)17(25)21-19(23)27/h3-7,9,11,14-16,24H,8,10H2,1-2H3,(H,22,28)(H,21,25,27)/t11?,14?,15-,16+,32?/m1/s1
InChIKey
ULPSMRNHSWUWMY-MFOPONNZSA-N
Compound name
methyl 2-[[[(2R,5S)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxythiolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

503.09274 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.10002 203.8
[M+Na]+ 526.08196 207.1
[M-H]- 502.08546 206.0
[M+NH4]+ 521.12656 207.9
[M+K]+ 542.05590 204.9
[M+H-H2O]+ 486.09000 191.9
[M+HCOO]- 548.09094 218.9
[M+CH3COO]- 562.10659 234.6
[M+Na-2H]- 524.06741 199.2
[M]+ 503.09219 206.7
[M]- 503.09329 206.7
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.