CID 941213

476481-51-3

Structural Information

Molecular Formula
C14H15N5O3
SMILES
CN1C2=C(C(=O)NC1=O)N(C(=N2)N)CCOC3=CC=CC=C3
InChI
InChI=1S/C14H15N5O3/c1-18-11-10(12(20)17-14(18)21)19(13(15)16-11)7-8-22-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,15,16)(H,17,20,21)
InChIKey
TUIJSECDVCKCDN-UHFFFAOYSA-N
Compound name
8-amino-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.1175 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.12478 168.0
[M+Na]+ 324.10672 182.1
[M+NH4]+ 319.15132 172.9
[M+K]+ 340.08066 178.4
[M-H]- 300.11022 169.0
[M+Na-2H]- 322.09217 173.9
[M]+ 301.11695 170.0
[M]- 301.11805 170.0
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.