CID 135465369

9-[(1s,2r,3s,4s)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1h-purin-6-one

Structural Information

Molecular Formula
C11H14N4O4
SMILES
C1[C@H]([C@@H]([C@@H]([C@H]1N2C=NC3=C2N=CNC3=O)O)O)CO
InChI
InChI=1S/C11H14N4O4/c16-2-5-1-6(9(18)8(5)17)15-4-14-7-10(15)12-3-13-11(7)19/h3-6,8-9,16-18H,1-2H2,(H,12,13,19)/t5-,6-,8-,9+/m0/s1
InChIKey
WJJOLBUDGLOYDT-UXXCCHNYSA-N
Compound name
9-[(1S,2R,3S,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.1015 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.10878 158.1
[M+Na]+ 289.09072 168.4
[M-H]- 265.09422 157.2
[M+NH4]+ 284.13532 171.6
[M+K]+ 305.06466 163.3
[M+H-H2O]+ 249.09876 150.8
[M+HCOO]- 311.09970 172.9
[M+CH3COO]- 325.11535 168.5
[M+Na-2H]- 287.07617 158.7
[M]+ 266.10095 157.0
[M]- 266.10205 157.0
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.