CID 129051172

1956368-15-2

Structural Information

Molecular Formula

C₁₅H₁₂BrNO

SMILES

C=CC(=O)N(C1=CC=CC=C1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C15H12BrNO/c1-2-15(18)17(13-6-4-3-5-7-13)14-10-8-12(16)9-11-14/h2-11H,1H2

InChIKey

WFQQVUPOAKOTGT-UHFFFAOYSA-N

Compound name

N-(4-bromophenyl)-N-phenylprop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 301.01022 Da
Monoisotopic Mass: 4.3
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]+	302.01750	160.6
[M+Na]+	323.99944	170.1
[M-H]-	300.00294	170.7
[M+NH4]+	319.04404	179.3
[M+K]+	339.97338	158.6
[M+H-H2O]+	284.00748	158.9
[M+HCOO]-	346.00842	183.0
[M+CH3COO]-	360.02407	204.0
[M+Na-2H]-	321.98489	166.5
[M]+	301.00967	178.8
[M]-	301.01077	178.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe