CID 493841

Schembl18520003

Structural Information

Molecular Formula
C11H13N5O3
SMILES
C1[C@@H]2[C@@H](O[C@]1(CO2)CO)N3C=NC4=C(N=CN=C43)N
InChI
InChI=1S/C11H13N5O3/c12-8-7-9(14-4-13-8)16(5-15-7)10-6-1-11(2-17,19-10)3-18-6/h4-6,10,17H,1-3H2,(H2,12,13,14)/t6-,10-,11+/m1/s1
InChIKey
SJOWHBVHLKAADG-PFZYVWIYSA-N
Compound name
[(1S,3R,4R)-3-(6-aminopurin-9-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

263.10184 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.10912 151.6
[M+Na]+ 286.09106 162.4
[M-H]- 262.09456 154.8
[M+NH4]+ 281.13566 169.0
[M+K]+ 302.06500 161.3
[M+H-H2O]+ 246.09910 145.0
[M+HCOO]- 308.10004 168.3
[M+CH3COO]- 322.11569 163.9
[M+Na-2H]- 284.07651 156.0
[M]+ 263.10129 154.8
[M]- 263.10239 154.8
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.