CID 15956385

Chembl382216

Structural Information

Molecular Formula

C₁₆H₁₃ClN₂O

SMILES

CC1=NC(=CC=C1)[C@H]2C[C@@]23C4=C(C=CC(=C4)Cl)NC3=O

InChI

InChI=1S/C16H13ClN2O/c1-9-3-2-4-13(18-9)12-8-16(12)11-7-10(17)5-6-14(11)19-15(16)20/h2-7,12H,8H2,1H3,(H,19,20)/t12-,16-/m1/s1

InChIKey

NGWBNZNRNZYMOD-MLGOLLRUSA-N

Compound name

(2'S,3S)-5-chloro-2'-(6-methyl-2-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 284.07166 Da
Monoisotopic Mass: 2.5
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]+	285.078936	167.0
[M+Na]+	307.060878	180.3
[M-H]-	283.064384	173.7
[M+NH4]+	302.105483	180.9
[M+K]+	323.034818	172.3
[M+H-H2O]+	267.068920	159.8
[M+HCOO]-	329.069861	181.4
[M+CH3COO]-	343.085511	178.6
[M+Na-2H]-	305.046326	170.5
[M]+	284.07111142	170.2
[M]-	284.07220858	170.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.