CID 3562787

528-66-5

Structural Information

Molecular Formula

C₂₀H₁₇NO₃

SMILES

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

InChI

InChI=1S/C20H17NO3/c1-13-7-3-6-10-18(13)21-20(23)17-11-15-8-4-5-9-16(15)12-19(17)24-14(2)22/h3-12H,1-2H3,(H,21,23)

InChIKey

PMRFWCJXRSRVPS-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 319.12085 Da
Monoisotopic Mass: 4.1
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]+	320.12813	174.4
[M+Na]+	342.11007	181.3
[M-H]-	318.11357	182.1
[M+NH4]+	337.15467	189.1
[M+K]+	358.08401	177.3
[M+H-H2O]+	302.11811	165.8
[M+HCOO]-	364.11905	196.4
[M+CH3COO]-	378.13470	211.2
[M+Na-2H]-	340.09552	178.3
[M]+	319.12030	176.1
[M]-	319.12140	176.1

Literature stripe

literature stripe

Patent stripe

patents stripe