CID 13099381

50296-99-6

Structural Information

Molecular Formula

C₁₇H₁₆N₂O₃

SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C17H16N2O3/c1-11(20)18-15-7-3-13(4-8-15)17(22)14-5-9-16(10-6-14)19-12(2)21/h3-10H,1-2H3,(H,18,20)(H,19,21)

InChIKey

RMSWUMRLQTYSPJ-UHFFFAOYSA-N

Compound name

N-[4-(4-acetamidobenzoyl)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 296.1161 Da
Monoisotopic Mass: 2.1
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]+	297.123376	168.6
[M+Na]+	319.105318	173.8
[M-H]-	295.108824	175.3
[M+NH4]+	314.149923	182.7
[M+K]+	335.079258	170.9
[M+H-H2O]+	279.113360	160.2
[M+HCOO]-	341.114301	192.2
[M+CH3COO]-	355.129951	208.5
[M+Na-2H]-	317.090766	170.8
[M]+	296.11555142	168.2
[M]-	296.11664858	168.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe