CID 2728458

853310-63-1

Structural Information

Molecular Formula

C₂₂H₂₅N₃

SMILES

C1CCN(CC1)CCNC2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3/c1-3-9-18(10-4-1)21-17-22(19-11-5-6-12-20(19)24-21)23-13-16-25-14-7-2-8-15-25/h1,3-6,9-12,17H,2,7-8,13-16H2,(H,23,24)

InChIKey

SGXGHCIPPADGCD-UHFFFAOYSA-N

Compound name

2-phenyl-N-(2-piperidin-1-ylethyl)quinolin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 6
Patents: 331.20483 Da
Monoisotopic Mass: 4.7
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]+	332.21211	180.3
[M+Na]+	354.19405	183.9
[M-H]-	330.19755	186.2
[M+NH4]+	349.23865	190.9
[M+K]+	370.16799	176.6
[M+H-H2O]+	314.20209	168.1
[M+HCOO]-	376.20303	196.8
[M+CH3COO]-	390.21868	188.4
[M+Na-2H]-	352.17950	185.7
[M]+	331.20428	174.6
[M]-	331.20538	174.6

Literature stripe

literature stripe

Patent stripe

patents stripe