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

literature stripe

Patent stripe

patents stripe