CID 89591

22078-96-2

Structural Information

Molecular Formula

C₁₆H₁₅NO₃

SMILES

COC(=O)C1=CC=CC=C1NCC(=O)C2=CC=CC=C2

InChI

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

InChIKey

AYEXMRATZYYIQV-UHFFFAOYSA-N

Compound name

methyl 2-(phenacylamino)benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 269.1052 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]+	270.112476	161.1
[M+Na]+	292.094418	166.7
[M-H]-	268.097924	167.6
[M+NH4]+	287.139023	176.5
[M+K]+	308.068358	163.9
[M+H-H2O]+	252.102460	152.9
[M+HCOO]-	314.103401	184.9
[M+CH3COO]-	328.119051	199.6
[M+Na-2H]-	290.079866	165.3
[M]+	269.10465142	162.0
[M]-	269.10574858	162.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe