CID 7245203

Mls000587709

Structural Information

Molecular Formula
C14H11N3O2S2
SMILES
C1=CC=C2C(=C1)N=C(S2)SCC(=O)N/N=C/C3=CC=CO3
InChI
InChI=1S/C14H11N3O2S2/c18-13(17-15-8-10-4-3-7-19-10)9-20-14-16-11-5-1-2-6-12(11)21-14/h1-8H,9H2,(H,17,18)/b15-8+
InChIKey
NDDBMCLOJKONSH-OVCLIPMQSA-N
Compound name
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-furan-2-ylmethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

317.02927 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.03655 167.8
[M+Na]+ 340.01849 178.7
[M+NH4]+ 335.06309 176.2
[M+K]+ 355.99243 171.8
[M-H]- 316.02199 173.5
[M+Na-2H]- 338.00394 173.9
[M]+ 317.02872 171.8
[M]- 317.02982 171.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.