CID 135508811

N-[9-[(z)-2-diethoxyphosphorylvinyl]-6-oxo-1h-purin-2-yl]acetamide

Structural Information

Molecular Formula
C13H18N5O5P
SMILES
CCOP(=O)(/C=C\N1C=NC2=C1N=C(NC2=O)NC(=O)C)OCC
InChI
InChI=1S/C13H18N5O5P/c1-4-22-24(21,23-5-2)7-6-18-8-14-10-11(18)16-13(15-9(3)19)17-12(10)20/h6-8H,4-5H2,1-3H3,(H2,15,16,17,19,20)/b7-6-
InChIKey
WRHYNIFKELLTHE-SREVYHEPSA-N
Compound name
N-[9-[(Z)-2-diethoxyphosphorylethenyl]-6-oxo-1H-purin-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.10455 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.11183 180.5
[M+Na]+ 378.09377 188.8
[M-H]- 354.09727 178.3
[M+NH4]+ 373.13837 190.4
[M+K]+ 394.06771 185.9
[M+H-H2O]+ 338.10181 169.5
[M+HCOO]- 400.10275 203.7
[M+CH3COO]- 414.11840 211.8
[M+Na-2H]- 376.07922 182.5
[M]+ 355.10400 186.7
[M]- 355.10510 186.7
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.