CID 496813

Nsc699492

Structural Information

Molecular Formula
C37H60FN8O10P
SMILES
CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1F)C2CC(C(O2)COP(=O)(O)OC[C@H]3[C@@H](C[C@H](O3)N4C=C(C(=O)NC4=O)C)N=[N+]=[N-])O
InChI
InChI=1S/C37H60FN8O10P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-40-34-27(38)23-46(36(49)41-34)33-21-29(47)31(56-33)25-54-57(51,52)53-24-30-28(43-44-39)20-32(55-30)45-22-26(2)35(48)42-37(45)50/h22-23,28-33,47H,3-21,24-25H2,1-2H3,(H,51,52)(H,40,41,49)(H,42,48,50)/t28-,29?,30+,31?,32+,33?/m1/s1
InChIKey
WQFVFTXGSMUPPX-POYDMXRUSA-N
Compound name
[(2R,3R,5S)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [5-[5-fluoro-4-(octadecylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

826.4154 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 827.42268 277.2
[M+Na]+ 849.40462 281.5
[M-H]- 825.40812 272.9
[M+NH4]+ 844.44922 278.7
[M+K]+ 865.37856 277.9
[M+H-H2O]+ 809.41266 263.6
[M+HCOO]- 871.41360 279.5
[M+CH3COO]- 885.42925 301.2
[M+Na-2H]- 847.39007 293.9
[M]+ 826.41485 297.1
[M]- 826.41595 297.1
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.