CID 496116

Nsc680082

Structural Information

Molecular Formula
C19H24FN4O10P
SMILES
C1CCN(CC1)P(=O)(OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)F)O)OCC4=CC=C(O4)[N+](=O)[O-]
InChI
InChI=1S/C19H24FN4O10P/c20-13-9-23(19(27)21-18(13)26)17-8-14(25)15(34-17)11-32-35(30,22-6-2-1-3-7-22)31-10-12-4-5-16(33-12)24(28)29/h4-5,9,14-15,17,25H,1-3,6-8,10-11H2,(H,21,26,27)/t14-,15+,17+,35?/m0/s1
InChIKey
ABKAGTLHQVQNNG-ZZNNUOMNSA-N
Compound name
5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-[[(5-nitrofuran-2-yl)methoxy-piperidin-1-ylphosphoryl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

518.1214 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.12868 206.0
[M+Na]+ 541.11062 206.4
[M-H]- 517.11412 211.8
[M+NH4]+ 536.15522 205.4
[M+K]+ 557.08456 202.9
[M+H-H2O]+ 501.11866 198.1
[M+HCOO]- 563.11960 221.2
[M+CH3COO]- 577.13525 229.1
[M+Na-2H]- 539.09607 206.2
[M]+ 518.12085 203.0
[M]- 518.12195 203.0
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.