CID 489623

Nsc701595

Structural Information

Molecular Formula
C35H55FN5O10P
SMILES
CCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)[C@H]2CC[C@H](O2)COP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)F
InChI
InChI=1S/C35H55FN5O10P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-30(42)37-29-19-20-40(34(44)38-29)31-18-17-26(50-31)23-48-52(46,47)49-24-28-27(36)21-32(51-28)41-22-25(2)33(43)39-35(41)45/h19-20,22,26-28,31-32H,3-18,21,23-24H2,1-2H3,(H,46,47)(H,39,43,45)(H,37,38,42,44)/t26-,27-,28+,31+,32+/m0/s1
InChIKey
NJMNLOSWOYBNNB-IIYBCFIJSA-N
Compound name
[(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2S,5R)-5-[4-(hexadecanoylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

755.36707 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 756.37435 275.0
[M+Na]+ 778.35629 271.7
[M-H]- 754.35979 277.8
[M+NH4]+ 773.40089 264.4
[M+K]+ 794.33023 270.8
[M+H-H2O]+ 738.36433 260.4
[M+HCOO]- 800.36527 284.4
[M+CH3COO]- 814.38092 286.7
[M+Na-2H]- 776.34174 264.1
[M]+ 755.36652 265.3
[M]- 755.36762 265.3
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.