CID 3062239

80443-03-4

Structural Information

Molecular Formula

C₁₆H₁₉ClN₂

SMILES

CC1=C2C(=CC=C1)C(=C(C=N2)Cl)CC3CCNCC3

InChI

InChI=1S/C16H19ClN2/c1-11-3-2-4-13-14(15(17)10-19-16(11)13)9-12-5-7-18-8-6-12/h2-4,10,12,18H,5-9H2,1H3

InChIKey

PFSJTEXPGBUCNF-UHFFFAOYSA-N

Compound name

3-chloro-8-methyl-4-(piperidin-4-ylmethyl)quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 274.1237 Da
Monoisotopic Mass: 3.8
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]+	275.130976	164.4
[M+Na]+	297.112918	171.6
[M-H]-	273.116424	166.7
[M+NH4]+	292.157523	179.0
[M+K]+	313.086858	164.1
[M+H-H2O]+	257.120960	155.6
[M+HCOO]-	319.121901	174.6
[M+CH3COO]-	333.137551	174.1
[M+Na-2H]-	295.098366	168.2
[M]+	274.12315142	160.9
[M]-	274.12424858	160.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe