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]+ 246.13494 156.1
[M+Na]+ 268.11688 166.1
[M-H]- 244.12038 159.2
[M+NH4]+ 263.16148 169.3
[M+K]+ 284.09082 162.3
[M+H-H2O]+ 228.12492 146.2
[M+HCOO]- 290.12586 174.6
[M+CH3COO]- 304.14151 167.7
[M+Na-2H]- 266.10233 161.9
[M]+ 245.12711 156.3
[M]- 245.12821 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.