CID 27393

Brn 2667232

Structural Information

Molecular Formula

C₁₇H₁₉N₃O₂

SMILES

C1=CC=C(C=C1)CNC(=O)CCNNC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H19N3O2/c21-16(18-13-14-7-3-1-4-8-14)11-12-19-20-17(22)15-9-5-2-6-10-15/h1-10,19H,11-13H2,(H,18,21)(H,20,22)

InChIKey

BUVVXNBXBFQRHS-UHFFFAOYSA-N

Compound name

3-(2-benzoylhydrazinyl)-N-benzylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 297.14774 Da
Monoisotopic Mass: 1.9
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]+	298.155016	168.9
[M+Na]+	320.136958	171.5
[M-H]-	296.140464	174.6
[M+NH4]+	315.181563	182.2
[M+K]+	336.110898	167.9
[M+H-H2O]+	280.145000	159.7
[M+HCOO]-	342.145941	194.2
[M+CH3COO]-	356.161591	209.0
[M+Na-2H]-	318.122406	174.3
[M]+	297.14719142	166.9
[M]-	297.14828858	166.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe