CID 5271809

Favipiravir-rtp

Structural Information

Molecular Formula
C10H15FN3O15P3
SMILES
C1=C(N=C(C(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)C(=O)N)F
InChI
InChI=1S/C10H15FN3O15P3/c11-4-1-14(9(18)5(13-4)8(12)17)10-7(16)6(15)3(27-10)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h1,3,6-7,10,15-16H,2H2,(H2,12,17)(H,22,23)(H,24,25)(H2,19,20,21)/t3-,6-,7-,10-/m1/s1
InChIKey
UUKPXXBDUCDZDA-KAFVXXCXSA-N
Compound name
[[(2R,3S,4R,5R)-5-(3-carbamoyl-5-fluoro-2-oxopyrazin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

84
Patents

528.97003 Da
Monoisotopic Mass

-5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.97731 195.4
[M+Na]+ 551.95925 199.2
[M-H]- 527.96275 193.6
[M+NH4]+ 547.00385 195.7
[M+K]+ 567.93319 193.9
[M+H-H2O]+ 511.96729 182.2
[M+HCOO]- 573.96823 198.6
[M+CH3COO]- 587.98388 235.1
[M+Na-2H]- 549.94470 200.6
[M]+ 528.96948 186.3
[M]- 528.97058 186.3
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.