CID 114286471

1883351-01-6

Structural Information

Molecular Formula

SMILES

CC(C)N1CCN(CC1)CCNC2CCN(CC2)C3=CC=CC(=C3)C4=CC5=C(N4)C=CC(=C5)F

InChI

InChI=1S/C28H38FN5/c1-21(2)33-16-14-32(15-17-33)13-10-30-25-8-11-34(12-9-25)26-5-3-4-22(19-26)28-20-23-18-24(29)6-7-27(23)31-28/h3-7,18-21,25,30-31H,8-17H2,1-2H3

InChIKey

LZHXZCVDLATFAR-UHFFFAOYSA-N

Compound name

1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine

Related CIDs

2D Structure

1
Annotation Hits: 2
References: 16
Patents: 463.31113 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]+	464.31841	216.5
[M+Na]+	486.30035	218.4
[M-H]-	462.30385	220.2
[M+NH4]+	481.34495	220.1
[M+K]+	502.27429	208.8
[M+H-H2O]+	446.30839	201.6
[M+HCOO]-	508.30933	223.8
[M+CH3COO]-	522.32498	220.1
[M+Na-2H]-	484.28580	211.6
[M]+	463.31058	207.4
[M]-	463.31168	207.4

Literature stripe

Patent stripe