CID 135406905

Chembl179482

Structural Information

Molecular Formula
C11H14N4O4
SMILES
C1[C@H](O[C@H]([C@@H]1O)N2C=CC3=C2N=C(NC3=O)N)CO
InChI
InChI=1S/C11H14N4O4/c12-11-13-8-6(9(18)14-11)1-2-15(8)10-7(17)3-5(4-16)19-10/h1-2,5,7,10,16-17H,3-4H2,(H3,12,13,14,18)/t5-,7+,10+/m0/s1
InChIKey
OOXYYRJQIYFARP-WVBSTYLSSA-N
Compound name
2-amino-7-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

22
Patents

266.1015 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.10878 156.6
[M+Na]+ 289.09072 166.7
[M-H]- 265.09422 158.4
[M+NH4]+ 284.13532 170.3
[M+K]+ 305.06466 162.9
[M+H-H2O]+ 249.09876 149.6
[M+HCOO]- 311.09970 173.8
[M+CH3COO]- 325.11535 167.8
[M+Na-2H]- 287.07617 158.1
[M]+ 266.10095 155.8
[M]- 266.10205 155.8
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.