CID 19800125

4-benzyl-1h-indole

Structural Information

Molecular Formula

C₁₅H₁₃N

SMILES

C1=CC=C(C=C1)CC2=C3C=CNC3=CC=C2

InChI

InChI=1S/C15H13N/c1-2-5-12(6-3-1)11-13-7-4-8-15-14(13)9-10-16-15/h1-10,16H,11H2

InChIKey

UWWDSFRFGQOVPB-UHFFFAOYSA-N

Compound name

4-benzyl-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 207.1048 Da
Monoisotopic Mass: 4.0
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]+	208.11208	144.3
[M+Na]+	230.09402	153.6
[M-H]-	206.09752	149.7
[M+NH4]+	225.13862	164.0
[M+K]+	246.06796	147.6
[M+H-H2O]+	190.10206	137.1
[M+HCOO]-	252.10300	167.7
[M+CH3COO]-	266.11865	157.7
[M+Na-2H]-	228.07947	152.1
[M]+	207.10425	143.9
[M]-	207.10535	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe