CID 55184

Brn 5635176

Structural Information

Molecular Formula

C₂₄H₂₈FN₃O

SMILES

CN(CCCC(=O)C1=CC=C(C=C1)F)CCN2CCC3=C(C2)NC4=CC=CC=C34

InChI

InChI=1S/C24H28FN3O/c1-27(13-4-7-24(29)18-8-10-19(25)11-9-18)15-16-28-14-12-21-20-5-2-3-6-22(20)26-23(21)17-28/h2-3,5-6,8-11,26H,4,7,12-17H2,1H3

InChIKey

DCKUMCKLQBKGRY-UHFFFAOYSA-N

Compound name

1-(4-fluorophenyl)-4-[methyl-[2-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethyl]amino]butan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 393.22165 Da
Monoisotopic Mass: 3.8
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]+	394.228926	196.7
[M+Na]+	416.210868	201.6
[M-H]-	392.214374	200.1
[M+NH4]+	411.255473	208.2
[M+K]+	432.184808	194.5
[M+H-H2O]+	376.218910	185.2
[M+HCOO]-	438.219851	211.9
[M+CH3COO]-	452.235501	204.3
[M+Na-2H]-	414.196316	197.0
[M]+	393.22110142	195.8
[M]-	393.22219858	195.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.