CID 3018609

5-acetyl-2-(phenylmethoxy)benzamide

Structural Information

Molecular Formula

C₁₆H₁₅NO₃

SMILES

CC(=O)C1=CC(=C(C=C1)OCC2=CC=CC=C2)C(=O)N

InChI

InChI=1S/C16H15NO3/c1-11(18)13-7-8-15(14(9-13)16(17)19)20-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,17,19)

InChIKey

NTDLDXWJXHCHAA-UHFFFAOYSA-N

Compound name

5-acetyl-2-phenylmethoxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 269.1052 Da
Monoisotopic Mass: 1.9
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]+	270.112476	161.2
[M+Na]+	292.094418	167.7
[M-H]-	268.097924	167.6
[M+NH4]+	287.139023	176.6
[M+K]+	308.068358	164.6
[M+H-H2O]+	252.102460	153.3
[M+HCOO]-	314.103401	184.3
[M+CH3COO]-	328.119051	200.9
[M+Na-2H]-	290.079866	163.7
[M]+	269.10465142	161.7
[M]-	269.10574858	161.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe