CID 6870696

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

Structural Information

Molecular Formula
C16H12FN3OS2
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)CSC2=NC3=CC=CC=C3S2)F
InChI
InChI=1S/C16H12FN3OS2/c17-12-6-2-1-5-11(12)9-18-20-15(21)10-22-16-19-13-7-3-4-8-14(13)23-16/h1-9H,10H2,(H,20,21)/b18-9+
InChIKey
DCTQHRJJJROGHK-GIJQJNRQSA-N
Compound name
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.0406 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.04788 173.0
[M+Na]+ 368.02982 183.0
[M-H]- 344.03332 179.6
[M+NH4]+ 363.07442 188.9
[M+K]+ 384.00376 175.8
[M+H-H2O]+ 328.03786 164.6
[M+HCOO]- 390.03880 189.0
[M+CH3COO]- 404.05445 184.3
[M+Na-2H]- 366.01527 176.1
[M]+ 345.04005 177.4
[M]- 345.04115 177.4
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.