CID 318164

Nsc252902

Structural Information

Molecular Formula

C₁₅H₂₂N₄

SMILES

CN(C)C1=CC2=C(C=C1)C(=CC(=N2)N(C)C)N(C)C

InChI

InChI=1S/C15H22N4/c1-17(2)11-7-8-12-13(9-11)16-15(19(5)6)10-14(12)18(3)4/h7-10H,1-6H3

InChIKey

ZWPDQEUFHCAYIB-UHFFFAOYSA-N

Compound name

2-N,2-N,4-N,4-N,7-N,7-N-hexamethylquinoline-2,4,7-triamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 258.18445 Da
Monoisotopic Mass: 2.9
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]+	259.19173	162.4
[M+Na]+	281.17367	169.3
[M-H]-	257.17717	169.9
[M+NH4]+	276.21827	180.6
[M+K]+	297.14761	169.1
[M+H-H2O]+	241.18171	153.6
[M+HCOO]-	303.18265	188.0
[M+CH3COO]-	317.19830	218.1
[M+Na-2H]-	279.15912	167.5
[M]+	258.18390	166.5
[M]-	258.18500	166.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.