CID 135565046

166762-90-9

Structural Information

Molecular Formula
C14H16N10O4
SMILES
C1=NC2=C(N1COCCOCN3C=NC4=C3N=C(NC4=O)N)N=C(NC2=O)N
InChI
InChI=1S/C14H16N10O4/c15-13-19-9-7(11(25)21-13)17-3-23(9)5-27-1-2-28-6-24-4-18-8-10(24)20-14(16)22-12(8)26/h3-4H,1-2,5-6H2,(H3,15,19,21,25)(H3,16,20,22,26)
InChIKey
QPOMYCBJDYQVEA-UHFFFAOYSA-N
Compound name
2-amino-9-[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethoxymethyl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.1356 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.14288 185.5
[M+Na]+ 411.12482 197.2
[M+NH4]+ 406.16942 186.6
[M+K]+ 427.09876 198.7
[M-H]- 387.12832 183.7
[M+Na-2H]- 409.11027 188.2
[M]+ 388.13505 186.0
[M]- 388.13615 186.0
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.