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]+ 411.92421 162.1
[M+Na]+ 433.90615 177.4
[M-H]- 409.90965 172.6
[M+NH4]+ 428.95075 181.7
[M+K]+ 449.88009 162.8
[M+H-H2O]+ 393.91419 163.2
[M+HCOO]- 455.91513 173.9
[M+CH3COO]- 469.93078 176.4
[M+Na-2H]- 431.89160 167.0
[M]+ 410.91638 185.4
[M]- 410.91748 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.