CID 4247498

97485-20-6

Structural Information

Molecular Formula

C₁₇H₁₄N₂O₂

SMILES

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

InChI

InChI=1S/C17H14N2O2/c20-16(19-17(21)12-6-2-1-3-7-12)10-13-11-18-15-9-5-4-8-14(13)15/h1-9,11,18H,10H2,(H,19,20,21)

InChIKey

HNLXFGCMTPMMDN-UHFFFAOYSA-N

Compound name

N-[2-(1H-indol-3-yl)acetyl]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 278.10553 Da
Monoisotopic Mass: 2.6
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]+	279.112806	162.9
[M+Na]+	301.094748	170.0
[M-H]-	277.098254	168.2
[M+NH4]+	296.139353	178.9
[M+K]+	317.068688	164.7
[M+H-H2O]+	261.102790	154.8
[M+HCOO]-	323.103731	185.4
[M+CH3COO]-	337.119381	174.3
[M+Na-2H]-	299.080196	167.9
[M]+	278.10498142	162.5
[M]-	278.10607858	162.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.