CID 753230

73031-14-8

Structural Information

Molecular Formula

C₁₇H₁₆N₂O

SMILES

C1=CC=C(C=C1)CNC(=O)CC2=CNC3=CC=CC=C32

InChI

InChI=1S/C17H16N2O/c20-17(19-11-13-6-2-1-3-7-13)10-14-12-18-16-9-5-4-8-15(14)16/h1-9,12,18H,10-11H2,(H,19,20)

InChIKey

YFISMSIEWANYHE-UHFFFAOYSA-N

Compound name

N-benzyl-2-(1H-indol-3-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 22
Patents: 264.12625 Da
Monoisotopic Mass: 2.7
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]+	265.13353	159.8
[M+Na]+	287.11547	167.1
[M-H]-	263.11897	164.9
[M+NH4]+	282.16007	176.6
[M+K]+	303.08941	161.1
[M+H-H2O]+	247.12351	151.7
[M+HCOO]-	309.12445	182.9
[M+CH3COO]-	323.14010	171.4
[M+Na-2H]-	285.10092	165.9
[M]+	264.12570	159.4
[M]-	264.12680	159.4

Literature stripe

literature stripe

Patent stripe

patents stripe