CID 15954974

7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, 4-methoxy-7-(2-c-methyl-b-d-ribofuranosyl)-

Structural Information

Molecular Formula
C14H16N4O5
SMILES
C[C@]1([C@@H]([C@H](O[C@H]1N2C=C(C3=C2N=CN=C3OC)C#N)CO)O)O
InChI
InChI=1S/C14H16N4O5/c1-14(21)10(20)8(5-19)23-13(14)18-4-7(3-15)9-11(18)16-6-17-12(9)22-2/h4,6,8,10,13,19-21H,5H2,1-2H3/t8-,10-,13-,14-/m1/s1
InChIKey
PPFXSCPTCYXEAZ-KNJXUWEQSA-N
Compound name
7-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-methoxypyrrolo[2,3-d]pyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.11206 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.11934 165.8
[M+Na]+ 343.10128 178.2
[M-H]- 319.10478 166.3
[M+NH4]+ 338.14588 178.0
[M+K]+ 359.07522 173.6
[M+H-H2O]+ 303.10932 152.2
[M+HCOO]- 365.11026 178.3
[M+CH3COO]- 379.12591 210.3
[M+Na-2H]- 341.08673 167.1
[M]+ 320.11151 164.5
[M]- 320.11261 164.5
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.