CID 96045

1163-67-3

Structural Information

Molecular Formula

C₁₉H₁₅NO₃

SMILES

CC(=O)OC1=CC2=CC=CC=C2C=C1C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C19H15NO3/c1-13(21)23-18-12-15-8-6-5-7-14(15)11-17(18)19(22)20-16-9-3-2-4-10-16/h2-12H,1H3,(H,20,22)

InChIKey

CVJGNNYDVQYHEO-UHFFFAOYSA-N

Compound name

[3-(phenylcarbamoyl)naphthalen-2-yl] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 305.1052 Da
Monoisotopic Mass: 3.8
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]+	306.11248	170.3
[M+Na]+	328.09442	184.7
[M+NH4]+	323.13902	178.5
[M+K]+	344.06836	177.0
[M-H]-	304.09792	175.5
[M+Na-2H]-	326.07987	179.2
[M]+	305.10465	173.8
[M]-	305.10575	173.8

Literature stripe

literature stripe

Patent stripe

patents stripe