CID 454271

9-[(2s,6r)-6-ethyl-3,6-dihydro-2h-pyran-2-yl]purin-6-amine

Structural Information

Molecular Formula
C12H15N5O
SMILES
CC[C@@H]1C=CC[C@H](O1)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C12H15N5O/c1-2-8-4-3-5-9(18-8)17-7-16-10-11(13)14-6-15-12(10)17/h3-4,6-9H,2,5H2,1H3,(H2,13,14,15)/t8-,9+/m1/s1
InChIKey
XLNQHRZJCZKRFY-BDAKNGLRSA-N
Compound name
9-[(2S,6R)-6-ethyl-3,6-dihydro-2H-pyran-2-yl]purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

245.12766 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.134936 156.1
[M+Na]+ 268.116878 166.1
[M-H]- 244.120384 159.2
[M+NH4]+ 263.161483 169.3
[M+K]+ 284.090818 162.3
[M+H-H2O]+ 228.124920 146.2
[M+HCOO]- 290.125861 174.6
[M+CH3COO]- 304.141511 167.7
[M+Na-2H]- 266.102326 161.9
[M]+ 245.12711142 156.3
[M]- 245.12820858 156.3
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.