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 178.2
[M+Na]+ 366.03414 188.1
[M-H]- 342.03764 187.2
[M+NH4]+ 361.07874 194.9
[M+K]+ 382.00808 183.3
[M+H-H2O]+ 326.04218 171.9
[M+HCOO]- 388.04312 196.1
[M+CH3COO]- 402.05877 190.1
[M+Na-2H]- 364.01959 180.3
[M]+ 343.04437 185.4
[M]- 343.04547 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.