CID 432306

Nsc 305843

Structural Information

Molecular Formula

C₂₂H₃₅N₃O₂

SMILES

CCN(CC)CCCCCCNC1=CC(=C(C2=C(C=CN=C12)C)OC)OC

InChI

InChI=1S/C22H35N3O2/c1-6-25(7-2)15-11-9-8-10-13-23-18-16-19(26-4)22(27-5)20-17(3)12-14-24-21(18)20/h12,14,16,23H,6-11,13,15H2,1-5H3

InChIKey

PUUDDXNBQOVAMX-UHFFFAOYSA-N

Compound name

N-(5,6-dimethoxy-4-methylquinolin-8-yl)-N',N'-diethylhexane-1,6-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 373.27292 Da
Monoisotopic Mass: 4.7
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]+	374.280196	196.7
[M+Na]+	396.262138	201.6
[M-H]-	372.265644	200.2
[M+NH4]+	391.306743	209.3
[M+K]+	412.236078	198.3
[M+H-H2O]+	356.270180	186.9
[M+HCOO]-	418.271121	218.2
[M+CH3COO]-	432.286771	232.3
[M+Na-2H]-	394.247586	198.4
[M]+	373.27237142	204.6
[M]-	373.27346858	204.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.