CID 11771279

Chembl363419

Structural Information

Molecular Formula
C17H19N5O
SMILES
C1CCC(CC1)NC2=NC(=NC3=C2NC=N3)OC4=CC=CC=C4
InChI
InChI=1S/C17H19N5O/c1-3-7-12(8-4-1)20-16-14-15(19-11-18-14)21-17(22-16)23-13-9-5-2-6-10-13/h2,5-6,9-12H,1,3-4,7-8H2,(H2,18,19,20,21,22)
InChIKey
OGCQBCHLFMBCCE-UHFFFAOYSA-N
Compound name
N-cyclohexyl-2-phenoxy-7H-purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

144
Patents

309.15897 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.16625 169.2
[M+Na]+ 332.14819 175.4
[M-H]- 308.15169 172.8
[M+NH4]+ 327.19279 179.3
[M+K]+ 348.12213 168.7
[M+H-H2O]+ 292.15623 157.4
[M+HCOO]- 354.15717 185.8
[M+CH3COO]- 368.17282 178.1
[M+Na-2H]- 330.13364 175.1
[M]+ 309.15842 165.1
[M]- 309.15952 165.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.