CID 3010377

(2r,3r,4s,5r)-2-[4-(dimethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol

Structural Information

Molecular Formula
C13H18N4O4
SMILES
CN(C)C1=NC=NC2=C1C=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C13H18N4O4/c1-16(2)11-7-3-4-17(12(7)15-6-14-11)13-10(20)9(19)8(5-18)21-13/h3-4,6,8-10,13,18-20H,5H2,1-2H3/t8-,9-,10-,13-/m1/s1
InChIKey
CYLYFNNDWSNWPM-VWMGYNLJSA-N
Compound name
(2R,3R,4S,5R)-2-[4-(dimethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

294.1328 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14008 165.4
[M+Na]+ 317.12202 174.5
[M-H]- 293.12552 168.9
[M+NH4]+ 312.16662 179.0
[M+K]+ 333.09596 172.6
[M+H-H2O]+ 277.13006 158.1
[M+HCOO]- 339.13100 182.9
[M+CH3COO]- 353.14665 201.1
[M+Na-2H]- 315.10747 166.3
[M]+ 294.13225 168.2
[M]- 294.13335 168.2
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.