CID 51705

72808-82-3

Structural Information

Molecular Formula

C₁₅H₁₇ClN₂

SMILES

CCN1CCC(=CC1)C2=CNC3=C2C=C(C=C3)Cl

InChI

InChI=1S/C15H17ClN2/c1-2-18-7-5-11(6-8-18)14-10-17-15-4-3-12(16)9-13(14)15/h3-5,9-10,17H,2,6-8H2,1H3

InChIKey

ZFQHMTCRNHYMQG-UHFFFAOYSA-N

Compound name

5-chloro-3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 260.10803 Da
Monoisotopic Mass: 3.3
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]+	261.115306	159.7
[M+Na]+	283.097248	169.4
[M-H]-	259.100754	163.1
[M+NH4]+	278.141853	177.0
[M+K]+	299.071188	161.9
[M+H-H2O]+	243.105290	151.7
[M+HCOO]-	305.106231	173.9
[M+CH3COO]-	319.121881	171.2
[M+Na-2H]-	281.082696	163.0
[M]+	260.10748142	159.5
[M]-	260.10857858	159.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe