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 191.8
[M+Na]+ 426.07052 200.7
[M-H]- 402.07402 202.2
[M+NH4]+ 421.11512 204.9
[M+K]+ 442.04446 192.4
[M+H-H2O]+ 386.07856 183.2
[M+HCOO]- 448.07950 208.5
[M+CH3COO]- 462.09515 202.0
[M+Na-2H]- 424.05597 195.3
[M]+ 403.08075 196.5
[M]- 403.08185 196.5
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.