CID 101745

525-60-0

Structural Information

Molecular Formula

C₁₅H₂₁N₃O

SMILES

CC(CCN(C)C)NC1=C2C(=CC(=C1)O)C=CC=N2

InChI

InChI=1S/C15H21N3O/c1-11(6-8-18(2)3)17-14-10-13(19)9-12-5-4-7-16-15(12)14/h4-5,7,9-11,17,19H,6,8H2,1-3H3

InChIKey

BSFODEXXVBBYOC-UHFFFAOYSA-N

Compound name

8-[4-(dimethylamino)butan-2-ylamino]quinolin-6-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6899
Patents: 259.16846 Da
Monoisotopic Mass: 2.6
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]+	260.17574	161.5
[M+Na]+	282.15768	173.0
[M+NH4]+	277.20228	169.4
[M+K]+	298.13162	166.5
[M-H]-	258.16118	164.7
[M+Na-2H]-	280.14313	167.5
[M]+	259.16791	163.9
[M]-	259.16901	163.9

Literature stripe

literature stripe

Patent stripe

patents stripe