CID 432302

46ou2o78kh

Structural Information

Molecular Formula

C₂₀H₃₁N₃O

SMILES

CC1=C2C=C(C=C(C2=NC=C1)NCCCCCCNC(C)C)OC

InChI

InChI=1S/C20H31N3O/c1-15(2)21-10-7-5-6-8-11-22-19-14-17(24-4)13-18-16(3)9-12-23-20(18)19/h9,12-15,21-22H,5-8,10-11H2,1-4H3

InChIKey

JEWZCJJIDWIFSG-UHFFFAOYSA-N

Compound name

N-(6-methoxy-4-methylquinolin-8-yl)-N'-propan-2-ylhexane-1,6-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 329.2467 Da
Monoisotopic Mass: 4.3
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]+	330.25398	184.2
[M+Na]+	352.23592	188.8
[M-H]-	328.23942	186.3
[M+NH4]+	347.28052	197.7
[M+K]+	368.20986	184.4
[M+H-H2O]+	312.24396	175.1
[M+HCOO]-	374.24490	204.7
[M+CH3COO]-	388.26055	220.7
[M+Na-2H]-	350.22137	187.2
[M]+	329.24615	187.7
[M]-	329.24725	187.7

Literature stripe

literature stripe

Patent stripe

patents stripe