CID 20076

Win 18437

Structural Information

Molecular Formula

C₂₁H₂₅N₃

SMILES

CC1=C(C2=CC=CC=C2N1)CCN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H25N3/c1-17-19(20-9-5-6-10-21(20)22-17)11-12-23-13-15-24(16-14-23)18-7-3-2-4-8-18/h2-10,22H,11-16H2,1H3

InChIKey

FVTXUALVQNDJRJ-UHFFFAOYSA-N

Compound name

2-methyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 319.20483 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]+	320.212106	179.1
[M+Na]+	342.194048	185.6
[M-H]-	318.197554	183.7
[M+NH4]+	337.238653	191.0
[M+K]+	358.167988	177.5
[M+H-H2O]+	302.202090	167.9
[M+HCOO]-	364.203031	194.5
[M+CH3COO]-	378.218681	188.0
[M+Na-2H]-	340.179496	180.9
[M]+	319.20428142	175.3
[M]-	319.20537858	175.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe