CID 6879731

2-(1,3-benzothiazol-2-ylthio)-n'-((5-bromo-2-thienyl)methylene)acetohydrazide

Structural Information

Molecular Formula
C14H10BrN3OS3
SMILES
C1=CC=C2C(=C1)N=C(S2)SCC(=O)N/N=C/C3=CC=C(S3)Br
InChI
InChI=1S/C14H10BrN3OS3/c15-12-6-5-9(21-12)7-16-18-13(19)8-20-14-17-10-3-1-2-4-11(10)22-14/h1-7H,8H2,(H,18,19)/b16-7+
InChIKey
GVUVPFCKEBYFII-FRKPEAEDSA-N
Compound name
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(5-bromothiophen-2-yl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.91693 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.924206 162.1
[M+Na]+ 433.906148 177.4
[M-H]- 409.909654 172.6
[M+NH4]+ 428.950753 181.7
[M+K]+ 449.880088 162.8
[M+H-H2O]+ 393.914190 163.2
[M+HCOO]- 455.915131 173.9
[M+CH3COO]- 469.930781 176.4
[M+Na-2H]- 431.891596 167.0
[M]+ 410.91638142 185.4
[M]- 410.91747858 185.4
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.