CID 135480733

97845-75-5

Structural Information

Molecular Formula
C12H15N5O5
SMILES
C1=NC2=C(N1CCC(COC=O)COC=O)N=C(NC2=O)N
InChI
InChI=1S/C12H15N5O5/c13-12-15-10-9(11(20)16-12)14-5-17(10)2-1-8(3-21-6-18)4-22-7-19/h5-8H,1-4H2,(H3,13,15,16,20)
InChIKey
YNAMULWOQHJWTL-UHFFFAOYSA-N
Compound name
[4-(2-amino-6-oxo-1H-purin-9-yl)-2-(formyloxymethyl)butyl] formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

309.10733 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.11461 165.7
[M+Na]+ 332.09655 175.2
[M-H]- 308.10005 164.1
[M+NH4]+ 327.14115 176.7
[M+K]+ 348.07049 171.6
[M+H-H2O]+ 292.10459 156.6
[M+HCOO]- 354.10553 185.4
[M+CH3COO]- 368.12118 203.3
[M+Na-2H]- 330.08200 170.0
[M]+ 309.10678 171.5
[M]- 309.10788 171.5
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.