CID 154910

4-[2-(4-methoxyphenyl)ethenyl]aniline

Structural Information

Molecular Formula

C₁₅H₁₅NO

SMILES

COC1=CC=C(C=C1)C=CC2=CC=C(C=C2)N

InChI

InChI=1S/C15H15NO/c1-17-15-10-6-13(7-11-15)3-2-12-4-8-14(16)9-5-12/h2-11H,16H2,1H3

InChIKey

FUKHOQPXEPBRFC-UHFFFAOYSA-N

Compound name

4-[2-(4-methoxyphenyl)ethenyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 178
Patents: 225.11537 Da
Monoisotopic Mass: 3.5
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]+	226.12265	151.0
[M+Na]+	248.10459	158.6
[M-H]-	224.10809	157.4
[M+NH4]+	243.14919	168.8
[M+K]+	264.07853	154.0
[M+H-H2O]+	208.11263	143.6
[M+HCOO]-	270.11357	175.9
[M+CH3COO]-	284.12922	192.0
[M+Na-2H]-	246.09004	156.5
[M]+	225.11482	150.2
[M]-	225.11592	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe