CID 204414

16268-60-3

Structural Information

Molecular Formula

C₁₂H₂₂N₆

SMILES

CCNC1=NC(=NC(=N1)N2CCCCC2)NCC

InChI

InChI=1S/C12H22N6/c1-3-13-10-15-11(14-4-2)17-12(16-10)18-8-6-5-7-9-18/h3-9H2,1-2H3,(H2,13,14,15,16,17)

InChIKey

BAMOQYHMXONIIV-UHFFFAOYSA-N

Compound name

2-N,4-N-diethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 250.1906 Da
Monoisotopic Mass: 2.6
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]+	251.19788	160.1
[M+Na]+	273.17982	170.8
[M+NH4]+	268.22442	166.4
[M+K]+	289.15376	164.5
[M-H]-	249.18332	162.7
[M+Na-2H]-	271.16527	166.6
[M]+	250.19005	162.0
[M]-	250.19115	162.0

Literature stripe

literature stripe

Patent stripe

patents stripe