CID 3053687

Brn 1178150

Structural Information

Molecular Formula
C14H22N5O5P
SMILES
CC1(COP(=O)(OC1)NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C)C
InChI
InChI=1S/C14H22N5O5P/c1-14(2)7-23-25(22,24-8-14)16-5-6-19-9-15-11-10(19)12(20)18(4)13(21)17(11)3/h9H,5-8H2,1-4H3,(H,16,22)
InChIKey
FQRKHGLXHDUPPC-UHFFFAOYSA-N
Compound name
7-[2-[(5,5-dimethyl-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 181.0
[M+Na]+ 394.12508 192.3
[M-H]- 370.12858 184.8
[M+NH4]+ 389.16968 192.5
[M+K]+ 410.09902 191.7
[M+H-H2O]+ 354.13312 169.8
[M+HCOO]- 416.13406 202.7
[M+CH3COO]- 430.14971 219.0
[M+Na-2H]- 392.11053 183.2
[M]+ 371.13531 187.8
[M]- 371.13641 187.8
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.