CID 6867046

2-(1,3-benzothiazol-2-ylthio)-n'-((1,1'-biphenyl)-4-ylmethylene)acetohydrazide

Structural Information

Molecular Formula

C₂₂H₁₇N₃OS₂

SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)/C=N/NC(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H17N3OS2/c26-21(15-27-22-24-19-8-4-5-9-20(19)28-22)25-23-14-16-10-12-18(13-11-16)17-6-2-1-3-7-17/h1-14H,15H2,(H,25,26)/b23-14+

InChIKey

VFMPELOUSDFLSC-OEAKJJBVSA-N

Compound name

2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(4-phenylphenyl)methylideneamino]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 403.0813 Da
Monoisotopic Mass: 5.8
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]+	404.088576	191.8
[M+Na]+	426.070518	200.7
[M-H]-	402.074024	202.2
[M+NH4]+	421.115123	204.9
[M+K]+	442.044458	192.4
[M+H-H2O]+	386.078560	183.2
[M+HCOO]-	448.079501	208.5
[M+CH3COO]-	462.095151	202.0
[M+Na-2H]-	424.055966	195.3
[M]+	403.08075142	196.5
[M]-	403.08184858	196.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.