CID 156787703

Schembl28618700

Structural Information

Molecular Formula

C₁₅H₁₄BrNO

SMILES

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

InChI

InChI=1S/C15H14BrNO/c1-2-15(18)17(13-6-4-3-5-7-13)14-10-8-12(16)9-11-14/h3-11H,2H2,1H3

InChIKey

ZNJBFJMLMRUFKT-UHFFFAOYSA-N

Compound name

N-(4-bromophenyl)-N-phenylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 303.02588 Da
Monoisotopic Mass: 4.2
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]+	304.03316	162.1
[M+Na]+	326.01510	171.3
[M-H]-	302.01860	172.2
[M+NH4]+	321.05970	180.8
[M+K]+	341.98904	160.4
[M+H-H2O]+	286.02314	160.3
[M+HCOO]-	348.02408	184.4
[M+CH3COO]-	362.03973	204.8
[M+Na-2H]-	324.00055	168.0
[M]+	303.02533	181.0
[M]-	303.02643	181.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe