CID 218725

41242-30-2

Structural Information

Molecular Formula

C₂₂H₁₇NO₄

SMILES

CC(=O)OC1=CC=CC=C1C(=O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H17NO4/c1-15(24)27-20-14-8-6-12-18(20)22(26)23-19-13-7-5-11-17(19)21(25)16-9-3-2-4-10-16/h2-14H,1H3,(H,23,26)

InChIKey

YYYSUJCCFLWMSS-UHFFFAOYSA-N

Compound name

[2-[(2-benzoylphenyl)carbamoyl]phenyl] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 359.11575 Da
Monoisotopic Mass: 4.4
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]+	360.123026	184.6
[M+Na]+	382.104968	189.4
[M-H]-	358.108474	194.0
[M+NH4]+	377.149573	195.6
[M+K]+	398.078908	185.7
[M+H-H2O]+	342.113010	174.6
[M+HCOO]-	404.113951	206.8
[M+CH3COO]-	418.129601	216.5
[M+Na-2H]-	380.090416	186.3
[M]+	359.11520142	185.2
[M]-	359.11629858	185.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.