CID 90796

22525-43-5

Structural Information

Molecular Formula

C₁₆H₁₈N₂

SMILES

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

InChI

InChI=1S/C16H18N2/c1-18(2)16-11-7-14(8-12-16)4-3-13-5-9-15(17)10-6-13/h3-12H,17H2,1-2H3

InChIKey

GCHSJPKVJSMRDX-UHFFFAOYSA-N

Compound name

4-[2-[4-(dimethylamino)phenyl]ethenyl]aniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 306
Patents: 238.147 Da
Monoisotopic Mass: 3.6
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]+	239.15428	156.4
[M+Na]+	261.13622	162.9
[M-H]-	237.13972	164.0
[M+NH4]+	256.18082	174.0
[M+K]+	277.11016	158.9
[M+H-H2O]+	221.14426	148.4
[M+HCOO]-	283.14520	182.3
[M+CH3COO]-	297.16085	201.4
[M+Na-2H]-	259.12167	160.9
[M]+	238.14645	155.0
[M]-	238.14755	155.0

Literature stripe

literature stripe

Patent stripe

patents stripe