CID 5158023

0ju4gk6u1i

Structural Information

Molecular Formula

C₁₇H₁₇NO₃

SMILES

CC(=O)OC(C1=CC=CC=C1)C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C17H17NO3/c1-13(19)21-16(15-10-6-3-7-11-15)17(20)18-12-14-8-4-2-5-9-14/h2-11,16H,12H2,1H3,(H,18,20)

InChIKey

HZUAABDZTNOQFU-UHFFFAOYSA-N

Compound name

[2-(benzylamino)-2-oxo-1-phenylethyl] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 283.12085 Da
Monoisotopic Mass: 2.7
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]+	284.128126	166.4
[M+Na]+	306.110068	170.4
[M-H]-	282.113574	172.4
[M+NH4]+	301.154673	181.0
[M+K]+	322.084008	167.9
[M+H-H2O]+	266.118110	158.0
[M+HCOO]-	328.119051	188.9
[M+CH3COO]-	342.134701	201.7
[M+Na-2H]-	304.095516	169.6
[M]+	283.12030142	166.6
[M]-	283.12139858	166.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe