CID 3052896

Brn 1178149

Structural Information

Molecular Formula
C14H21N4O6P
SMILES
CC1(COP(=O)(OC1)OCCN2C=NC3=C2C(=O)N(C(=O)N3C)C)C
InChI
InChI=1S/C14H21N4O6P/c1-14(2)7-23-25(21,24-8-14)22-6-5-18-9-15-11-10(18)12(19)17(4)13(20)16(11)3/h9H,5-8H2,1-4H3
InChIKey
FOANNPCWILELEH-UHFFFAOYSA-N
Compound name
7-[2-[(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]ethyl]-1,3-dimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.11987 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.12715 178.1
[M+Na]+ 395.10909 190.1
[M-H]- 371.11259 182.0
[M+NH4]+ 390.15369 189.8
[M+K]+ 411.08303 190.3
[M+H-H2O]+ 355.11713 167.2
[M+HCOO]- 417.11807 199.1
[M+CH3COO]- 431.13372 216.0
[M+Na-2H]- 393.09454 180.1
[M]+ 372.11932 187.0
[M]- 372.12042 187.0
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.