CID 135427130

7-[(3s,5s)-5-(hydroxymethyl)tetrahydrofuran-3-yl]-3h-pyrrolo[2,3-d]pyrimidin-4-one

Structural Information

Molecular Formula
C11H13N3O3
SMILES
C1[C@@H](CO[C@@H]1CO)N2C=CC3=C2N=CNC3=O
InChI
InChI=1S/C11H13N3O3/c15-4-8-3-7(5-17-8)14-2-1-9-10(14)12-6-13-11(9)16/h1-2,6-8,15H,3-5H2,(H,12,13,16)/t7-,8-/m0/s1
InChIKey
XILFYSJEKZVPMO-YUMQZZPRSA-N
Compound name
7-[(3S,5S)-5-(hydroxymethyl)oxolan-3-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.09569 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.10297 148.7
[M+Na]+ 258.08491 158.8
[M-H]- 234.08841 151.5
[M+NH4]+ 253.12951 164.6
[M+K]+ 274.05885 155.5
[M+H-H2O]+ 218.09295 141.4
[M+HCOO]- 280.09389 166.9
[M+CH3COO]- 294.10954 161.0
[M+Na-2H]- 256.07036 152.1
[M]+ 235.09514 149.1
[M]- 235.09624 149.1
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.