CID 6866182

308096-03-9

Structural Information

Molecular Formula
C16H13N3O2S2
SMILES
C1=CC=C2C(=C1)N=C(S2)SCC(=O)N/N=C/C=C/C3=CC=CO3
InChI
InChI=1S/C16H13N3O2S2/c20-15(19-17-9-3-5-12-6-4-10-21-12)11-22-16-18-13-7-1-2-8-14(13)23-16/h1-10H,11H2,(H,19,20)/b5-3+,17-9+
InChIKey
AZEFLBLKJZXJRG-AHEHSYJASA-N
Compound name
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.04492 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.05220 176.4
[M+Na]+ 366.03414 186.9
[M+NH4]+ 361.07874 184.2
[M+K]+ 382.00808 179.4
[M-H]- 342.03764 181.7
[M+Na-2H]- 364.01959 181.9
[M]+ 343.04437 180.1
[M]- 343.04547 180.1
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.