CID 97495

4-(((4-methoxyphenyl)methylene)amino)phenyl acetate

Structural Information

Molecular Formula

C₁₆H₁₅NO₃

SMILES

CC(=O)OC1=CC=C(C=C1)N=CC2=CC=C(C=C2)OC

InChI

InChI=1S/C16H15NO3/c1-12(18)20-16-9-5-14(6-10-16)17-11-13-3-7-15(19-2)8-4-13/h3-11H,1-2H3

InChIKey

HOYWVKUPOCFKOT-UHFFFAOYSA-N

Compound name

[4-[(4-methoxyphenyl)methylideneamino]phenyl] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 266
Patents: 269.1052 Da
Monoisotopic Mass: 2.8
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]+	270.11248	160.5
[M+Na]+	292.09442	167.9
[M-H]-	268.09792	168.8
[M+NH4]+	287.13902	177.2
[M+K]+	308.06836	165.5
[M+H-H2O]+	252.10246	152.2
[M+HCOO]-	314.10340	186.8
[M+CH3COO]-	328.11905	201.8
[M+Na-2H]-	290.07987	165.7
[M]+	269.10465	164.3
[M]-	269.10575	164.3

Literature stripe

literature stripe

Patent stripe

patents stripe