CID 28411891

1018556-61-0

Structural Information

Molecular Formula

C₁₄H₁₇N₅

SMILES

C1CN(CCN1C2=CN=C(C=C2)N)C3=CC=CC=N3

InChI

InChI=1S/C14H17N5/c15-13-5-4-12(11-17-13)18-7-9-19(10-8-18)14-3-1-2-6-16-14/h1-6,11H,7-10H2,(H2,15,17)

InChIKey

QDBOYIZCXUSXHT-UHFFFAOYSA-N

Compound name

5-(4-pyridin-2-ylpiperazin-1-yl)pyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 255.14839 Da
Monoisotopic Mass: 1.5
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]+	256.155666	161.4
[M+Na]+	278.137608	167.4
[M-H]-	254.141114	164.4
[M+NH4]+	273.182213	171.5
[M+K]+	294.111548	161.5
[M+H-H2O]+	238.145650	149.5
[M+HCOO]-	300.146591	177.6
[M+CH3COO]-	314.162241	170.6
[M+Na-2H]-	276.123056	167.1
[M]+	255.14784142	154.6
[M]-	255.14893858	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe