CID 117394

Brn 0831329

Structural Information

Molecular Formula

C₂₀H₂₅N₃

SMILES

C1CC2=CC=CC=C2NC1CN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C20H25N3/c1-2-7-19(8-3-1)23-14-12-22(13-15-23)16-18-11-10-17-6-4-5-9-20(17)21-18/h1-9,18,21H,10-16H2

InChIKey

MFVCIOLUKKPQLX-UHFFFAOYSA-N

Compound name

2-[(4-phenylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 307.20483 Da
Monoisotopic Mass: 4.0
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]+	308.212106	176.6
[M+Na]+	330.194048	179.5
[M-H]-	306.197554	179.3
[M+NH4]+	325.238653	186.2
[M+K]+	346.167988	171.9
[M+H-H2O]+	290.202090	164.3
[M+HCOO]-	352.203031	187.0
[M+CH3COO]-	366.218681	183.5
[M+Na-2H]-	328.179496	179.8
[M]+	307.20428142	166.7
[M]-	307.20537858	166.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe