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: 18
Patents: 275.17462 Da
Monoisotopic Mass: 3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	276.181896	165.1
[M+Na]+	298.163838	172.8
[M-H]-	274.167344	166.8
[M+NH4]+	293.208443	178.1
[M+K]+	314.137778	168.1
[M+H-H2O]+	258.171880	154.6
[M+HCOO]-	320.172821	182.4
[M+CH3COO]-	334.188471	175.1
[M+Na-2H]-	296.149286	168.6
[M]+	275.17407142	163.8
[M]-	275.17516858	163.8

Literature stripe

literature stripe

Patent stripe

patents stripe