CID 6867737

2-(1,3-benzothiazol-2-ylsulfanyl)-n'-[(e)-(5-bromo-2-fluorophenyl)methylidene]acetohydrazide

Structural Information

Molecular Formula
C16H11BrFN3OS2
SMILES
C1=CC=C2C(=C1)N=C(S2)SCC(=O)N/N=C/C3=C(C=CC(=C3)Br)F
InChI
InChI=1S/C16H11BrFN3OS2/c17-11-5-6-12(18)10(7-11)8-19-21-15(22)9-23-16-20-13-3-1-2-4-14(13)24-16/h1-8H,9H2,(H,21,22)/b19-8+
InChIKey
FGLBAUWQYQBCSO-UFWORHAWSA-N
Compound name
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.9511 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.95838 165.0
[M+Na]+ 445.94032 168.0
[M+NH4]+ 440.98492 169.6
[M+K]+ 461.91426 165.4
[M-H]- 421.94382 167.4
[M+Na-2H]- 443.92577 169.9
[M]+ 422.95055 165.7
[M]- 422.95165 165.7
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.