CID 43384249

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

Structural Information

Molecular Formula

C₁₃H₁₈N₄O

SMILES

C1CC1C(=O)N2CCN(CC2)C3=CN=C(C=C3)N

InChI

InChI=1S/C13H18N4O/c14-12-4-3-11(9-15-12)16-5-7-17(8-6-16)13(18)10-1-2-10/h3-4,9-10H,1-2,5-8H2,(H2,14,15)

InChIKey

BTDRPGXJTBQMLF-UHFFFAOYSA-N

Compound name

[4-(6-amino-3-pyridinyl)piperazin-1-yl]-cyclopropylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 246.14806 Da
Monoisotopic Mass: 0.4
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]+	247.155336	164.8
[M+Na]+	269.137278	171.9
[M-H]-	245.140784	169.9
[M+NH4]+	264.181883	172.5
[M+K]+	285.111218	166.8
[M+H-H2O]+	229.145320	154.8
[M+HCOO]-	291.146261	181.9
[M+CH3COO]-	305.161911	174.0
[M+Na-2H]-	267.122726	167.1
[M]+	246.14751142	161.0
[M]-	246.14860858	161.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe