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]+ 268.10402 157.6
[M+Na]+ 290.08596 168.3
[M-H]- 266.08946 156.9
[M+NH4]+ 285.13056 170.7
[M+K]+ 306.05990 163.1
[M+H-H2O]+ 250.09400 150.5
[M+HCOO]- 312.09494 173.2
[M+CH3COO]- 326.11059 168.0
[M+Na-2H]- 288.07141 157.9
[M]+ 267.09619 155.0
[M]- 267.09729 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.