CID 6871592

2-(1,3-benzothiazol-2-ylsulfanyl)-n'-(5-bromo-2-methoxybenzylidene)acetohydrazide

Structural Information

Molecular Formula
C17H14BrN3O2S2
SMILES
COC1=C(C=C(C=C1)Br)/C=N/NC(=O)CSC2=NC3=CC=CC=C3S2
InChI
InChI=1S/C17H14BrN3O2S2/c1-23-14-7-6-12(18)8-11(14)9-19-21-16(22)10-24-17-20-13-4-2-3-5-15(13)25-17/h2-9H,10H2,1H3,(H,21,22)/b19-9+
InChIKey
KPIRIZGOJJWBFY-DJKKODMXSA-N
Compound name
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.97107 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.97835 173.6
[M+Na]+ 457.96029 186.5
[M-H]- 433.96379 183.9
[M+NH4]+ 453.00489 190.1
[M+K]+ 473.93423 172.4
[M+H-H2O]+ 417.96833 172.4
[M+HCOO]- 479.96927 188.6
[M+CH3COO]- 493.98492 186.9
[M+Na-2H]- 455.94574 179.0
[M]+ 434.97052 198.8
[M]- 434.97162 198.8
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.