CID 135459768

2-amino-9-[(1r,2s,3r,4s)-2,3,4-trihydroxycyclopentyl]-1h-purin-6-one

Structural Information

Molecular Formula
C10H13N5O4
SMILES
C1[C@H]([C@@H]([C@@H]([C@H]1O)O)O)N2C=NC3=C2N=C(NC3=O)N
InChI
InChI=1S/C10H13N5O4/c11-10-13-8-5(9(19)14-10)12-2-15(8)3-1-4(16)7(18)6(3)17/h2-4,6-7,16-18H,1H2,(H3,11,13,14,19)/t3-,4+,6+,7-/m1/s1
InChIKey
ZSSYAVBBVDBILT-LPWJYYESSA-N
Compound name
2-amino-9-[(1R,2S,3R,4S)-2,3,4-trihydroxycyclopentyl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

267.09674 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.104016 157.6
[M+Na]+ 290.085958 168.3
[M-H]- 266.089464 156.9
[M+NH4]+ 285.130563 170.7
[M+K]+ 306.059898 163.1
[M+H-H2O]+ 250.094000 150.5
[M+HCOO]- 312.094941 173.2
[M+CH3COO]- 326.110591 168.0
[M+Na-2H]- 288.071406 157.9
[M]+ 267.09619142 155.0
[M]- 267.09728858 155.0
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.