CID 217641

39113-15-0

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₂

SMILES

C1C2=CC=CC=C2CN(C1=O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H14N2O2/c19-15-10-13-8-4-5-9-14(13)11-18(15)17-16(20)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,20)

InChIKey

XZRWPQGDDQRRET-UHFFFAOYSA-N

Compound name

N-(3-oxo-1,4-dihydroisoquinolin-2-yl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 266.10553 Da
Monoisotopic Mass: 2.1
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]+	267.112806	158.9
[M+Na]+	289.094748	165.2
[M-H]-	265.098254	164.6
[M+NH4]+	284.139353	174.2
[M+K]+	305.068688	160.7
[M+H-H2O]+	249.102790	150.0
[M+HCOO]-	311.103731	179.0
[M+CH3COO]-	325.119381	170.0
[M+Na-2H]-	287.080196	165.1
[M]+	266.10498142	155.8
[M]-	266.10607858	155.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.