CID 34177768

936643-78-6

Structural Information

Molecular Formula

C₁₃H₁₅N₃

SMILES

C1CN(CCN1)C2=CC3=C(C=C2)C=CN=C3

InChI

InChI=1S/C13H15N3/c1-2-13(16-7-5-14-6-8-16)9-12-10-15-4-3-11(1)12/h1-4,9-10,14H,5-8H2

InChIKey

NDFDIGKFIOTRPZ-UHFFFAOYSA-N

Compound name

7-piperazin-1-ylisoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 213.1266 Da
Monoisotopic Mass: 1.6
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]+	214.13388	148.9
[M+Na]+	236.11582	154.8
[M-H]-	212.11932	149.9
[M+NH4]+	231.16042	163.1
[M+K]+	252.08976	149.3
[M+H-H2O]+	196.12386	139.0
[M+HCOO]-	258.12480	163.5
[M+CH3COO]-	272.14045	158.8
[M+Na-2H]-	234.10127	156.4
[M]+	213.12605	142.0
[M]-	213.12715	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe