CID 15956361

Chembl205713

Structural Information

Molecular Formula

C₁₆H₁₄ClNO₂

SMILES

CCC1=CC=C(O1)[C@H]2C[C@@]23C4=C(C=CC(=C4)Cl)NC3=O

InChI

InChI=1S/C16H14ClNO2/c1-2-10-4-6-14(20-10)12-8-16(12)11-7-9(17)3-5-13(11)18-15(16)19/h3-7,12H,2,8H2,1H3,(H,18,19)/t12-,16-/m1/s1

InChIKey

GDEHBJZBISWIFA-MLGOLLRUSA-N

Compound name

(2'S,3S)-5-chloro-2'-(5-ethylfuran-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 287.07132 Da
Monoisotopic Mass: 3.1
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]+	288.078596	163.0
[M+Na]+	310.060538	176.2
[M-H]-	286.064044	172.0
[M+NH4]+	305.105143	178.7
[M+K]+	326.034478	170.0
[M+H-H2O]+	270.068580	158.1
[M+HCOO]-	332.069521	178.3
[M+CH3COO]-	346.085171	175.7
[M+Na-2H]-	308.045986	165.3
[M]+	287.07077142	168.7
[M]-	287.07186858	168.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.