CID 160247

35245-26-2

Structural Information

Molecular Formula

C₂₀H₁₆ClNO₃

SMILES

CC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C=C2OC(=O)CCl

InChI

InChI=1S/C20H16ClNO3/c1-13-6-2-5-9-17(13)22-20(24)16-10-14-7-3-4-8-15(14)11-18(16)25-19(23)12-21/h2-11H,12H2,1H3,(H,22,24)

InChIKey

FMVKYSCWHDVMGO-UHFFFAOYSA-N

Compound name

[3-[(2-methylphenyl)carbamoyl]naphthalen-2-yl] 2-chloroacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 13
References: 143
Patents: 353.08188 Da
Monoisotopic Mass: 4.7
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]+	354.08916	180.7
[M+Na]+	376.07110	196.1
[M+NH4]+	371.11570	188.9
[M+K]+	392.04504	187.4
[M-H]-	352.07460	185.9
[M+Na-2H]-	374.05655	189.2
[M]+	353.08133	184.8
[M]-	353.08243	184.8

Literature stripe

literature stripe

Patent stripe

patents stripe