CID 52485

73791-21-6

Structural Information

Molecular Formula

C₂₁H₂₅N₃O

SMILES

CCN(CC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)C)O

InChI

InChI=1S/C21H25N3O/c1-4-24(5-2)14-16-13-17(7-9-21(16)25)23-19-10-11-22-20-12-15(3)6-8-18(19)20/h6-13,25H,4-5,14H2,1-3H3,(H,22,23)

InChIKey

HIQOZHUWDJFFNV-UHFFFAOYSA-N

Compound name

2-(diethylaminomethyl)-4-[(7-methylquinolin-4-yl)amino]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 335.19977 Da
Monoisotopic Mass: 2.3
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]+	336.207046	182.8
[M+Na]+	358.188988	189.2
[M-H]-	334.192494	188.9
[M+NH4]+	353.233593	195.8
[M+K]+	374.162928	184.0
[M+H-H2O]+	318.197030	173.0
[M+HCOO]-	380.197971	204.4
[M+CH3COO]-	394.213621	220.7
[M+Na-2H]-	356.174436	187.2
[M]+	335.19922142	184.5
[M]-	335.20031858	184.5

Literature stripe

literature stripe

Patent stripe

patents stripe