CID 326817

Nsc299097

Structural Information

Molecular Formula

C₁₃H₁₇N₃

SMILES

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

InChI

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

InChIKey

BJMKWCAYYIEIQS-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 215.14224 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]+	216.149516	148.7
[M+Na]+	238.131458	156.3
[M-H]-	214.134964	154.8
[M+NH4]+	233.176063	168.1
[M+K]+	254.105398	155.1
[M+H-H2O]+	198.139500	140.6
[M+HCOO]-	260.140441	173.5
[M+CH3COO]-	274.156091	202.4
[M+Na-2H]-	236.116906	155.9
[M]+	215.14169142	151.1
[M]-	215.14278858	151.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.