CID 9908587

7x2u66kmp7

Structural Information

Molecular Formula

SMILES

CNC(=O)CC1=CC2=C(C=C1)C=CN2C3CCN(CC3)CCC4=CC=CC=C4F

InChI

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

InChIKey

CQEOXWCXSBFJMB-UHFFFAOYSA-N

Compound name

2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide

Related CIDs

2D Structure

2
Annotation Hits: 2
References: 20
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]+	394.22893	197.0
[M+Na]+	416.21087	202.4
[M-H]-	392.21437	202.9
[M+NH4]+	411.25547	207.6
[M+K]+	432.18481	194.9
[M+H-H2O]+	376.21891	184.9
[M+HCOO]-	438.21985	213.5
[M+CH3COO]-	452.23550	204.9
[M+Na-2H]-	414.19632	196.1
[M]+	393.22110	194.3
[M]-	393.22220	194.3

Literature stripe

Patent stripe