CID 470131

Chembl607966

Structural Information

Molecular Formula
C11H15N5O3
SMILES
C1[C@H]([C@@H]([C@H](O1)CO)CO)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C11H15N5O3/c12-10-9-11(14-4-13-10)16(5-15-9)7-3-19-8(2-18)6(7)1-17/h4-8,17-18H,1-3H2,(H2,12,13,14)/t6-,7+,8+/m0/s1
InChIKey
RIDRSTKXEYRUMQ-XLPZGREQSA-N
Compound name
[(2S,3R,4S)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

265.1175 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.12478 157.7
[M+Na]+ 288.10672 167.3
[M-H]- 264.11022 159.1
[M+NH4]+ 283.15132 170.6
[M+K]+ 304.08066 164.1
[M+H-H2O]+ 248.11476 149.4
[M+HCOO]- 310.11570 174.7
[M+CH3COO]- 324.13135 168.6
[M+Na-2H]- 286.09217 159.9
[M]+ 265.11695 158.1
[M]- 265.11805 158.1
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.