CID 51814

Bb-1502

Structural Information

Molecular Formula
C14H21N5O
SMILES
CCCOC1=NC(=C2C(=N1)N(C=N2)C3CCCCC3)N
InChI
InChI=1S/C14H21N5O/c1-2-8-20-14-17-12(15)11-13(18-14)19(9-16-11)10-6-4-3-5-7-10/h9-10H,2-8H2,1H3,(H2,15,17,18)
InChIKey
HCCZHQLKTDQYBT-UHFFFAOYSA-N
Compound name
9-cyclohexyl-2-propoxypurin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

10
Patents

275.17462 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.18190 165.1
[M+Na]+ 298.16384 172.8
[M-H]- 274.16734 166.8
[M+NH4]+ 293.20844 178.1
[M+K]+ 314.13778 168.1
[M+H-H2O]+ 258.17188 154.6
[M+HCOO]- 320.17282 182.4
[M+CH3COO]- 334.18847 175.1
[M+Na-2H]- 296.14929 168.6
[M]+ 275.17407 163.8
[M]- 275.17517 163.8
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