CID 481074

Chembl310434

Structural Information

Molecular Formula
C15H25N5O6
SMILES
CCOC(CN1C(=O)C2=C(N=C1N)N(C=N2)COC(CO)CO)OCC
InChI
InChI=1S/C15H25N5O6/c1-3-24-11(25-4-2)5-20-14(23)12-13(18-15(20)16)19(8-17-12)9-26-10(6-21)7-22/h8,10-11,21-22H,3-7,9H2,1-2H3,(H2,16,18)
InChIKey
JOBZLEYKWXQNTJ-UHFFFAOYSA-N
Compound name
2-amino-1-(2,2-diethoxyethyl)-9-(1,3-dihydroxypropan-2-yloxymethyl)purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

371.18048 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.18776 183.7
[M+Na]+ 394.16970 191.0
[M-H]- 370.17320 180.8
[M+NH4]+ 389.21430 191.7
[M+K]+ 410.14364 188.7
[M+H-H2O]+ 354.17774 174.5
[M+HCOO]- 416.17868 199.6
[M+CH3COO]- 430.19433 215.8
[M+Na-2H]- 392.15515 184.5
[M]+ 371.17993 191.3
[M]- 371.18103 191.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.