CID 387048

Nsc680416

Structural Information

Molecular Formula
C34H57N6O9P
SMILES
CCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2CC(C(O2)CO)OP(=O)(O)OCC3CCC(O3)N4C=CC(=NC4=O)N
InChI
InChI=1S/C34H57N6O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-36-30-19-22-40(34(43)38-30)32-23-27(28(24-41)48-32)49-50(44,45)46-25-26-16-17-31(47-26)39-21-18-29(35)37-33(39)42/h18-19,21-22,26-28,31-32,41H,2-17,20,23-25H2,1H3,(H,44,45)(H2,35,37,42)(H,36,38,43)
InChIKey
SXOZRCFBSBPIMS-UHFFFAOYSA-N
Compound name
[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl [5-[4-(hexadecylamino)-2-oxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

724.39246 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 725.39974 268.5
[M+Na]+ 747.38168 263.8
[M-H]- 723.38518 271.8
[M+NH4]+ 742.42628 258.6
[M+K]+ 763.35562 263.0
[M+H-H2O]+ 707.38972 253.7
[M+HCOO]- 769.39066 280.2
[M+CH3COO]- 783.40631 283.8
[M+Na-2H]- 745.36713 264.3
[M]+ 724.39191 264.5
[M]- 724.39301 264.5
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.