CID 9624109

2-(1,3-benzothiazol-2-ylsulfanyl)-n'-[(1e,2z)-2-bromo-3-phenylprop-2-en-1-ylidene]acetohydrazide

Structural Information

Molecular Formula
C18H14BrN3OS2
SMILES
C1=CC=C(C=C1)/C=C(/C=N/NC(=O)CSC2=NC3=CC=CC=C3S2)\Br
InChI
InChI=1S/C18H14BrN3OS2/c19-14(10-13-6-2-1-3-7-13)11-20-22-17(23)12-24-18-21-15-8-4-5-9-16(15)25-18/h1-11H,12H2,(H,22,23)/b14-10-,20-11+
InChIKey
RQYUVKSFILBYJB-MCXKGUMDSA-N
Compound name
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.97617 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.98345 165.7
[M+Na]+ 453.96539 168.3
[M+NH4]+ 449.00999 170.5
[M+K]+ 469.93933 165.7
[M-H]- 429.96889 168.9
[M+Na-2H]- 451.95084 171.2
[M]+ 430.97562 166.5
[M]- 430.97672 166.5
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.