CID 475096

Schembl1413035

Structural Information

Molecular Formula

SMILES

C1CC(CN(C1)CCN2CCNC2=O)C3=CN(C4=C3C=C(C=C4)Cl)C5=CC=C(C=C5)F

InChI

InChI=1S/C24H26ClFN4O/c25-18-3-8-23-21(14-18)22(16-30(23)20-6-4-19(26)5-7-20)17-2-1-10-28(15-17)12-13-29-11-9-27-24(29)31/h3-8,14,16-17H,1-2,9-13,15H2,(H,27,31)

InChIKey

RZKJENYHFDICNB-UHFFFAOYSA-N

Compound name

1-[2-[3-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one

Related CIDs

2D Structure

1
Annotation Hits: 1
References: 11
Patents: 440.17792 Da
Monoisotopic Mass: 4.1
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]+	441.18520	208.0
[M+Na]+	463.16714	215.4
[M-H]-	439.17064	213.4
[M+NH4]+	458.21174	216.1
[M+K]+	479.14108	205.4
[M+H-H2O]+	423.17518	194.8
[M+HCOO]-	485.17612	214.6
[M+CH3COO]-	499.19177	214.4
[M+Na-2H]-	461.15259	201.4
[M]+	440.17737	204.4
[M]-	440.17847	204.4

Literature stripe

Patent stripe