CID 3588232

N-piperonylidene-p-phenetidine

Structural Information

Molecular Formula

C₁₆H₁₅NO₃

SMILES

CCOC1=CC=C(C=C1)N=CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H15NO3/c1-2-18-14-6-4-13(5-7-14)17-10-12-3-8-15-16(9-12)20-11-19-15/h3-10H,2,11H2,1H3

InChIKey

BDYURPHWKSBOIF-UHFFFAOYSA-N

Compound name

1-(1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)methanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 269.1052 Da
Monoisotopic Mass: 3.2
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	159.9
[M+Na]+	292.094418	167.9
[M-H]-	268.097924	170.2
[M+NH4]+	287.139023	176.8
[M+K]+	308.068358	167.0
[M+H-H2O]+	252.102460	152.7
[M+HCOO]-	314.103401	184.3
[M+CH3COO]-	328.119051	173.4
[M+Na-2H]-	290.079866	167.3
[M]+	269.10465142	164.5
[M]-	269.10574858	164.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.