CID 5270730

(1r,2r,3s,5r)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-methoxy-cyclopentane-1,2-diol

Structural Information

Molecular Formula
C12H16N4O3
SMILES
CO[C@@H]1C[C@@H]([C@H]([C@H]1O)O)N2C=CC3=C(N=CN=C32)N
InChI
InChI=1S/C12H16N4O3/c1-19-8-4-7(9(17)10(8)18)16-3-2-6-11(13)14-5-15-12(6)16/h2-3,5,7-10,17-18H,4H2,1H3,(H2,13,14,15)/t7-,8+,9+,10-/m0/s1
InChIKey
VEBULQFXEJGXEO-JLIMGVALSA-N
Compound name
(1R,2R,3S,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-methoxycyclopentane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.12225 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.12953 157.5
[M+Na]+ 287.11147 167.5
[M-H]- 263.11497 160.0
[M+NH4]+ 282.15607 173.5
[M+K]+ 303.08541 163.5
[M+H-H2O]+ 247.11951 150.1
[M+HCOO]- 309.12045 176.6
[M+CH3COO]- 323.13610 169.1
[M+Na-2H]- 285.09692 158.6
[M]+ 264.12170 157.6
[M]- 264.12280 157.6
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.