CID 44829

63845-32-9

Structural Information

Molecular Formula

C₁₅H₁₇ClN₂O

SMILES

C1CNCCC1CC(=O)C2=CNC3=C2C=C(C=C3)Cl

InChI

InChI=1S/C15H17ClN2O/c16-11-1-2-14-12(8-11)13(9-18-14)15(19)7-10-3-5-17-6-4-10/h1-2,8-10,17-18H,3-7H2

InChIKey

OKSJDJSOIBOPFP-UHFFFAOYSA-N

Compound name

1-(5-chloro-1H-indol-3-yl)-2-piperidin-4-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 276.10294 Da
Monoisotopic Mass: 2.6
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]+	277.110216	162.9
[M+Na]+	299.092158	170.1
[M-H]-	275.095664	164.5
[M+NH4]+	294.136763	178.3
[M+K]+	315.066098	162.5
[M+H-H2O]+	259.100200	155.2
[M+HCOO]-	321.101141	173.7
[M+CH3COO]-	335.116791	172.7
[M+Na-2H]-	297.077606	164.6
[M]+	276.10239142	159.4
[M]-	276.10348858	159.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe