CID 27394

P 1280

Structural Information

Molecular Formula

C₁₇H₁₈ClN₃O₂

SMILES

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

InChI

InChI=1S/C17H18ClN3O2/c18-15-8-4-7-14(11-15)17(23)21-20-10-9-16(22)19-12-13-5-2-1-3-6-13/h1-8,11,20H,9-10,12H2,(H,19,22)(H,21,23)

InChIKey

ZCBCHPDOHRDFDK-UHFFFAOYSA-N

Compound name

N-benzyl-3-[2-(3-chlorobenzoyl)hydrazinyl]propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 331.10876 Da
Monoisotopic Mass: 2.6
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]+	332.116036	176.9
[M+Na]+	354.097978	181.3
[M-H]-	330.101484	182.8
[M+NH4]+	349.142583	190.1
[M+K]+	370.071918	175.9
[M+H-H2O]+	314.106020	168.8
[M+HCOO]-	376.106961	197.6
[M+CH3COO]-	390.122611	213.8
[M+Na-2H]-	352.083426	180.9
[M]+	331.10821142	177.7
[M]-	331.10930858	177.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe