CID 207459

Brn 1081851

Structural Information

Molecular Formula

C₁₃H₁₆N₆

SMILES

C1CCN(CC1)C2=NC(=NC(=N2)N)C3=CN=CC=C3

InChI

InChI=1S/C13H16N6/c14-12-16-11(10-5-4-6-15-9-10)17-13(18-12)19-7-2-1-3-8-19/h4-6,9H,1-3,7-8H2,(H2,14,16,17,18)

InChIKey

KZZGFEWSUSXCLF-UHFFFAOYSA-N

Compound name

4-piperidin-1-yl-6-pyridin-3-yl-1,3,5-triazin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 256.14365 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]+	257.150926	162.2
[M+Na]+	279.132868	168.7
[M-H]-	255.136374	164.0
[M+NH4]+	274.177473	170.8
[M+K]+	295.106808	162.7
[M+H-H2O]+	239.140910	149.7
[M+HCOO]-	301.141851	177.3
[M+CH3COO]-	315.157501	171.0
[M+Na-2H]-	277.118316	168.4
[M]+	256.14310142	155.6
[M]-	256.14419858	155.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.