CID 531834

79630-21-0

Structural Information

Molecular Formula

C₁₈H₁₅NO

SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C18H15NO/c1-13-9-11-15(12-10-13)18(20)19-17-8-4-6-14-5-2-3-7-16(14)17/h2-12H,1H3,(H,19,20)

InChIKey

URUKLNMVYAVDAS-UHFFFAOYSA-N

Compound name

4-methyl-N-naphthalen-1-ylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 3
Patents: 261.11536 Da
Monoisotopic Mass: 3.7
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]+	262.12264	159.3
[M+Na]+	284.10458	166.6
[M-H]-	260.10808	166.9
[M+NH4]+	279.14918	176.5
[M+K]+	300.07852	161.5
[M+H-H2O]+	244.11262	151.2
[M+HCOO]-	306.11356	182.5
[M+CH3COO]-	320.12921	171.5
[M+Na-2H]-	282.09003	166.2
[M]+	261.11481	158.5
[M]-	261.11591	158.5

Literature stripe

literature stripe

Patent stripe

patents stripe