CID 512135

7-.beta.-d-ribofuranosylpyrrolo[2,3-d]pyrimidine-4-carboxamide

Structural Information

Molecular Formula
C12H14N4O5
SMILES
C1=CN(C2=NC=NC(=C21)C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C12H14N4O5/c13-10(20)7-5-1-2-16(11(5)15-4-14-7)12-9(19)8(18)6(3-17)21-12/h1-2,4,6,8-9,12,17-19H,3H2,(H2,13,20)/t6-,8-,9-,12-/m1/s1
InChIKey
GOOLLXIEFXHJQO-WOUKDFQISA-N
Compound name
7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

294.0964 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.10368 163.0
[M+Na]+ 317.08562 172.0
[M-H]- 293.08912 164.9
[M+NH4]+ 312.13022 175.3
[M+K]+ 333.05956 169.4
[M+H-H2O]+ 277.09366 156.0
[M+HCOO]- 339.09460 179.1
[M+CH3COO]- 353.11025 197.3
[M+Na-2H]- 315.07107 163.3
[M]+ 294.09585 163.4
[M]- 294.09695 163.4
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.