CID 503990

Chembl281092

Structural Information

Molecular Formula

C₁₃H₁₇N₃

SMILES

CC1=CC(=C2C=CC(=CC2=N1)N(C)C)NC

InChI

InChI=1S/C13H17N3/c1-9-7-12(14-2)11-6-5-10(16(3)4)8-13(11)15-9/h5-8H,1-4H3,(H,14,15)

InChIKey

UMMZCEBWQPFRIK-UHFFFAOYSA-N

Compound name

4-N,7-N,7-N,2-tetramethylquinoline-4,7-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 215.14224 Da
Monoisotopic Mass: 2.7
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]+	216.149516	148.8
[M+Na]+	238.131458	157.2
[M-H]-	214.134964	153.9
[M+NH4]+	233.176063	167.9
[M+K]+	254.105398	154.7
[M+H-H2O]+	198.139500	141.2
[M+HCOO]-	260.140441	173.2
[M+CH3COO]-	274.156091	200.1
[M+Na-2H]-	236.116906	156.1
[M]+	215.14169142	150.4
[M]-	215.14278858	150.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.