CID 3053689

Phosphoramidic acid, n-ethyl-n-(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl)-, cyclic trimethylene ester

Structural Information

Molecular Formula
C14H22N5O5P
SMILES
CCN(CCN1C=NC2=C1C(=O)N(C(=O)N2C)C)P3(=O)OCCCO3
InChI
InChI=1S/C14H22N5O5P/c1-4-19(25(22)23-8-5-9-24-25)7-6-18-10-15-12-11(18)13(20)17(3)14(21)16(12)2/h10H,4-9H2,1-3H3
InChIKey
ZRLVKVSMRCPAGQ-UHFFFAOYSA-N
Compound name
7-[2-[ethyl-(2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)amino]ethyl]-1,3-dimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.13586 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.14314 181.9
[M+Na]+ 394.12508 193.3
[M+NH4]+ 389.16968 186.5
[M+K]+ 410.09902 190.5
[M-H]- 370.12858 184.3
[M+Na-2H]- 392.11053 185.1
[M]+ 371.13531 183.9
[M]- 371.13641 183.9
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.