CID 501518

Chembl296392

Structural Information

Molecular Formula
C12H17N5O2
SMILES
CC[C@H]1C[C@H]([C@@H]([C@@H]1O)O)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C12H17N5O2/c1-2-6-3-7(10(19)9(6)18)17-5-16-8-11(13)14-4-15-12(8)17/h4-7,9-10,18-19H,2-3H2,1H3,(H2,13,14,15)/t6-,7+,9+,10-/m0/s1
InChIKey
HXFJNVBAELYAOB-WDQPUEAGSA-N
Compound name
(1R,2S,3R,5S)-3-(6-aminopurin-9-yl)-5-ethylcyclopentane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

263.1382 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.14548 160.1
[M+Na]+ 286.12742 170.3
[M-H]- 262.13092 161.2
[M+NH4]+ 281.17202 174.8
[M+K]+ 302.10136 165.4
[M+H-H2O]+ 246.13546 152.0
[M+HCOO]- 308.13640 177.6
[M+CH3COO]- 322.15205 171.0
[M+Na-2H]- 284.11287 160.7
[M]+ 263.13765 159.3
[M]- 263.13875 159.3
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.