CID 668297

27466-85-9

Structural Information

Molecular Formula

C₁₈H₁₅NO

SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C18H15NO/c20-18(19-13-14-7-2-1-3-8-14)17-12-6-10-15-9-4-5-11-16(15)17/h1-12H,13H2,(H,19,20)

InChIKey

BLJPNWILUJTDPJ-UHFFFAOYSA-N

Compound name

N-benzylnaphthalene-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 261.11536 Da
Monoisotopic Mass: 4.3
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]+	262.122636	159.1
[M+Na]+	284.104578	165.5
[M-H]-	260.108084	166.3
[M+NH4]+	279.149183	176.0
[M+K]+	300.078518	160.3
[M+H-H2O]+	244.112620	150.8
[M+HCOO]-	306.113561	182.3
[M+CH3COO]-	320.129211	170.9
[M+Na-2H]-	282.090026	166.7
[M]+	261.11481142	157.9
[M]-	261.11590858	157.9

Literature stripe

literature stripe

Patent stripe

patents stripe