CID 9547890

6-(cyclohexylmethoxy)-8-isopropyl-9h-purin-2-amine

Structural Information

Molecular Formula
C15H23N5O
SMILES
CC(C)C1=NC2=C(N1)C(=NC(=N2)N)OCC3CCCCC3
InChI
InChI=1S/C15H23N5O/c1-9(2)12-17-11-13(18-12)19-15(16)20-14(11)21-8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H3,16,17,18,19,20)
InChIKey
JABXNQUXGJTKRO-UHFFFAOYSA-N
Compound name
6-(cyclohexylmethoxy)-8-propan-2-yl-7H-purin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

289.19025 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.19753 169.9
[M+Na]+ 312.17947 176.5
[M-H]- 288.18297 170.3
[M+NH4]+ 307.22407 181.6
[M+K]+ 328.15341 171.2
[M+H-H2O]+ 272.18751 159.8
[M+HCOO]- 334.18845 184.4
[M+CH3COO]- 348.20410 178.7
[M+Na-2H]- 310.16492 171.5
[M]+ 289.18970 166.7
[M]- 289.19080 166.7
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

patents stripe