CID 497797

Odgb-ccdv

Structural Information

Molecular Formula
C35H58N3O7P
SMILES
CCCCCCCCCCCCCCCCCOC[C@H](COP1(=O)CO[C@H](CO1)CN2C=CC(=NC2=O)N)OCC3=CC=CC=C3
InChI
InChI=1S/C35H58N3O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24-41-27-33(42-26-31-20-17-16-18-21-31)29-45-46(40)30-43-32(28-44-46)25-38-23-22-34(36)37-35(38)39/h16-18,20-23,32-33H,2-15,19,24-30H2,1H3,(H2,36,37,39)/t32-,33+,46?/m0/s1
InChIKey
DLVPTVVIWVUABK-XITAYITDSA-N
Compound name
4-amino-1-[[(5S)-2-[(2R)-3-heptadecoxy-2-phenylmethoxypropoxy]-2-oxo-1,4,2lambda5-dioxaphosphinan-5-yl]methyl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

663.40125 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 664.40853 270.3
[M+Na]+ 686.39047 266.3
[M-H]- 662.39397 272.5
[M+NH4]+ 681.43507 265.1
[M+K]+ 702.36441 264.5
[M+H-H2O]+ 646.39851 252.8
[M+HCOO]- 708.39945 285.2
[M+CH3COO]- 722.41510 274.2
[M+Na-2H]- 684.37592 262.5
[M]+ 663.40070 279.1
[M]- 663.40180 279.1
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.