CID 9624109

2-(1,3-benzothiazol-2-ylthio)-n'-(2-br-3-phenyl-2-propenylidene)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 174.8
[M+Na]+ 453.96539 186.3
[M-H]- 429.96889 184.5
[M+NH4]+ 449.00999 191.1
[M+K]+ 469.93933 171.5
[M+H-H2O]+ 413.97343 173.7
[M+HCOO]- 475.97437 188.8
[M+CH3COO]- 489.99002 187.4
[M+Na-2H]- 451.95084 179.9
[M]+ 430.97562 197.3
[M]- 430.97672 197.3
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.