CID 5496079

Methyl (2s)-2-[[[(2s,5r)-5-(2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-(4-fluorophenoxy)phosphoryl]amino]propanoate

Structural Information

Molecular Formula
C19H21FN3O8P
SMILES
C[C@@H](C(=O)OC)NP(=O)(OC[C@@H]1C=C[C@@H](O1)N2C=CC(=O)NC2=O)OC3=CC=C(C=C3)F
InChI
InChI=1S/C19H21FN3O8P/c1-12(18(25)28-2)22-32(27,31-14-5-3-13(20)4-6-14)29-11-15-7-8-17(30-15)23-10-9-16(24)21-19(23)26/h3-10,12,15,17H,11H2,1-2H3,(H,22,27)(H,21,24,26)/t12-,15-,17+,32?/m0/s1
InChIKey
REBAHEVZKWZNIF-VNZPLDRXSA-N
Compound name
methyl (2S)-2-[[[(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-(4-fluorophenoxy)phosphoryl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.10504 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.11232 200.9
[M+Na]+ 492.09426 205.4
[M-H]- 468.09776 205.4
[M+NH4]+ 487.13886 205.0
[M+K]+ 508.06820 205.2
[M+H-H2O]+ 452.10230 187.7
[M+HCOO]- 514.10324 222.3
[M+CH3COO]- 528.11889 231.9
[M+Na-2H]- 490.07971 199.1
[M]+ 469.10449 204.9
[M]- 469.10559 204.9
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.