CID 515246

(1r,2s,3r,4s)-4-(6-amino-7,8-dihydropurin-9-yl)cyclopentane-1,2,3-triol

Structural Information

Molecular Formula
C10H15N5O3
SMILES
C1[C@@H]([C@H]([C@H]([C@@H]1O)O)O)N2CNC3=C(N=CN=C32)N
InChI
InChI=1S/C10H15N5O3/c11-9-6-10(13-2-12-9)15(3-14-6)4-1-5(16)8(18)7(4)17/h2,4-5,7-8,14,16-18H,1,3H2,(H2,11,12,13)/t4-,5+,7+,8-/m0/s1
InChIKey
KXBCMCHCVNRZKJ-LAHCRNKXSA-N
Compound name
(1R,2S,3R,4S)-4-(6-amino-7,8-dihydropurin-9-yl)cyclopentane-1,2,3-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

253.1175 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.12478 157.0
[M+Na]+ 276.10672 165.0
[M-H]- 252.11022 155.1
[M+NH4]+ 271.15132 170.4
[M+K]+ 292.08066 160.2
[M+H-H2O]+ 236.11476 149.7
[M+HCOO]- 298.11570 169.5
[M+CH3COO]- 312.13135 166.2
[M+Na-2H]- 274.09217 156.1
[M]+ 253.11695 150.7
[M]- 253.11805 150.7
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.