CID 121043

C.i. 433

Structural Information

Molecular Formula

C₁₈H₂₆ClN₃O

SMILES

CCN(CC)CCCNCCC1=CC(=C2C=CC=NC2=C1O)Cl

InChI

InChI=1S/C18H26ClN3O/c1-3-22(4-2)12-6-9-20-11-8-14-13-16(19)15-7-5-10-21-17(15)18(14)23/h5,7,10,13,20,23H,3-4,6,8-9,11-12H2,1-2H3

InChIKey

FAVWOJLESGWTFK-UHFFFAOYSA-N

Compound name

5-chloro-7-[2-[3-(diethylamino)propylamino]ethyl]quinolin-8-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 335.17645 Da
Monoisotopic Mass: 3.4
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]+	336.183726	181.6
[M+Na]+	358.165668	188.0
[M-H]-	334.169174	183.9
[M+NH4]+	353.210273	195.8
[M+K]+	374.139608	182.3
[M+H-H2O]+	318.173710	173.7
[M+HCOO]-	380.174651	198.4
[M+CH3COO]-	394.190301	218.2
[M+Na-2H]-	356.151116	185.2
[M]+	335.17590142	186.7
[M]-	335.17699858	186.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe