CID 2155070

84806-94-0

Structural Information

Molecular Formula

C₁₂H₁₆N₆O₂

SMILES

CCOC(=O)N1CCN(CC1)C2=NC=NC3=C2NC=N3

InChI

InChI=1S/C12H16N6O2/c1-2-20-12(19)18-5-3-17(4-6-18)11-9-10(14-7-13-9)15-8-16-11/h7-8H,2-6H2,1H3,(H,13,14,15,16)

InChIKey

NVDONUZZBAEOBG-UHFFFAOYSA-N

Compound name

ethyl 4-(7H-purin-6-yl)piperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 2
Patents: 276.13348 Da
Monoisotopic Mass: 0.6
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]+	277.14076	163.3
[M+Na]+	299.12270	175.3
[M+NH4]+	294.16730	168.1
[M+K]+	315.09664	172.4
[M-H]-	275.12620	162.4
[M+Na-2H]-	297.10815	168.0
[M]+	276.13293	164.3
[M]-	276.13403	164.3

Literature stripe

literature stripe

Patent stripe

patents stripe