CID 5270729

(1r,2r,3s,5r)-3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-5-methoxy-cyclopentane-1,2-diol

Structural Information

Molecular Formula
C11H15N5O3
SMILES
CO[C@@H]1C[C@@H]([C@H]([C@H]1O)O)N2C3=NC=NC(=C3C=N2)N
InChI
InChI=1S/C11H15N5O3/c1-19-7-2-6(8(17)9(7)18)16-11-5(3-15-16)10(12)13-4-14-11/h3-4,6-9,17-18H,2H2,1H3,(H2,12,13,14)/t6-,7+,8+,9-/m0/s1
InChIKey
XZPIJKLHMWFZIQ-KDXUFGMBSA-N
Compound name
(1R,2R,3S,5R)-3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-5-methoxycyclopentane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

265.1175 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.12478 157.8
[M+Na]+ 288.10672 168.2
[M-H]- 264.11022 159.1
[M+NH4]+ 283.15132 172.4
[M+K]+ 304.08066 164.2
[M+H-H2O]+ 248.11476 149.8
[M+HCOO]- 310.11570 175.9
[M+CH3COO]- 324.13135 169.0
[M+Na-2H]- 286.09217 159.1
[M]+ 265.11695 158.0
[M]- 265.11805 158.0
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.