CID 5377410

23435-31-6

Structural Information

Molecular Formula

C₁₆H₁₇NO₂

SMILES

COC1=CC(=C(C=C1)OC)/C=C/C2=CC=C(C=C2)N

InChI

InChI=1S/C16H17NO2/c1-18-15-9-10-16(19-2)13(11-15)6-3-12-4-7-14(17)8-5-12/h3-11H,17H2,1-2H3/b6-3+

InChIKey

OZGXSMOLBWHIQA-ZZXKWVIFSA-N

Compound name

4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 51
Patents: 255.12593 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]+	256.133206	158.9
[M+Na]+	278.115148	166.9
[M-H]-	254.118654	165.5
[M+NH4]+	273.159753	175.7
[M+K]+	294.089088	162.7
[M+H-H2O]+	238.123190	151.2
[M+HCOO]-	300.124131	183.7
[M+CH3COO]-	314.139781	198.3
[M+Na-2H]-	276.100596	163.0
[M]+	255.12538142	160.2
[M]-	255.12647858	160.2

Literature stripe

literature stripe

Patent stripe

patents stripe