CID 13497475

5-phenyl-2,3-dihydro-1h-indole

Structural Information

Molecular Formula

C₁₄H₁₃N

SMILES

C1CNC2=C1C=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C14H13N/c1-2-4-11(5-3-1)12-6-7-14-13(10-12)8-9-15-14/h1-7,10,15H,8-9H2

InChIKey

OTLWHHHZQLDXEK-UHFFFAOYSA-N

Compound name

5-phenyl-2,3-dihydro-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 195.1048 Da
Monoisotopic Mass: 3.6
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]+	196.11208	143.5
[M+Na]+	218.09402	158.2
[M+NH4]+	213.13862	154.0
[M+K]+	234.06796	151.1
[M-H]-	194.09752	148.4
[M+Na-2H]-	216.07947	152.6
[M]+	195.10425	147.1
[M]-	195.10535	147.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe