CID 468155

Cf 1426

Structural Information

Molecular Formula
C19H23FN3O9P
SMILES
CC(C(=O)OC)NP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)F)O)OC3=CC=CC=C3
InChI
InChI=1S/C19H23FN3O9P/c1-11(18(26)29-2)22-33(28,32-12-6-4-3-5-7-12)30-10-15-14(24)8-16(31-15)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+,33?/m0/s1
InChIKey
MAJRXOIKRQADHG-LTGPWCTFSA-N
Compound name
methyl 2-[[[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

487.1156 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.12288 203.4
[M+Na]+ 510.10482 206.9
[M-H]- 486.10832 206.6
[M+NH4]+ 505.14942 206.2
[M+K]+ 526.07876 207.2
[M+H-H2O]+ 470.11286 190.7
[M+HCOO]- 532.11380 222.0
[M+CH3COO]- 546.12945 234.3
[M+Na-2H]- 508.09027 200.4
[M]+ 487.11505 206.1
[M]- 487.11615 206.1
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.