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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.08858 187.8
[M+Na]+ 426.07052 202.4
[M+NH4]+ 421.11512 197.0
[M+K]+ 442.04446 190.6
[M-H]- 402.07402 196.1
[M+Na-2H]- 424.05597 199.0
[M]+ 403.08075 193.3
[M]- 403.08185 193.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.