CID 117967

27280-72-4

Structural Information

Molecular Formula

C₁₆H₁₄N₂O

SMILES

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

InChI

InChI=1S/C16H14N2O/c1-19-16-10-15(18)8-7-13(16)9-14(11-17)12-5-3-2-4-6-12/h2-10H,18H2,1H3

InChIKey

BSVPQIAORBMDMB-UHFFFAOYSA-N

Compound name

3-(4-amino-2-methoxyphenyl)-2-phenylprop-2-enenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 250.11061 Da
Monoisotopic Mass: 3.0
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]+	251.11789	164.4
[M+Na]+	273.09983	173.6
[M-H]-	249.10333	169.2
[M+NH4]+	268.14443	179.0
[M+K]+	289.07377	167.5
[M+H-H2O]+	233.10787	150.3
[M+HCOO]-	295.10881	184.0
[M+CH3COO]-	309.12446	207.7
[M+Na-2H]-	271.08528	167.0
[M]+	250.11006	157.9
[M]-	250.11116	157.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe