CID 3062233

80442-99-5

Structural Information

Molecular Formula

C₁₇H₂₁ClN₂

SMILES

CC1=NC2=CC=CC=C2C(=C1Cl)CCC3CCNCC3

InChI

InChI=1S/C17H21ClN2/c1-12-17(18)15(7-6-13-8-10-19-11-9-13)14-4-2-3-5-16(14)20-12/h2-5,13,19H,6-11H2,1H3

InChIKey

FUINNYQDCIKNEO-UHFFFAOYSA-N

Compound name

3-chloro-2-methyl-4-(2-piperidin-4-ylethyl)quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 288.1393 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]+	289.146576	168.9
[M+Na]+	311.128518	175.6
[M-H]-	287.132024	171.0
[M+NH4]+	306.173123	182.9
[M+K]+	327.102458	167.9
[M+H-H2O]+	271.136560	159.9
[M+HCOO]-	333.137501	178.8
[M+CH3COO]-	347.153151	178.1
[M+Na-2H]-	309.113966	172.1
[M]+	288.13875142	165.7
[M]-	288.13984858	165.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe