CID 7245203

303107-49-5

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 169.3
[M+Na]+ 340.01849 179.8
[M-H]- 316.02199 178.7
[M+NH4]+ 335.06309 187.1
[M+K]+ 355.99243 176.0
[M+H-H2O]+ 300.02653 163.3
[M+HCOO]- 362.02747 187.7
[M+CH3COO]- 376.04312 182.1
[M+Na-2H]- 338.00394 172.4
[M]+ 317.02872 176.6
[M]- 317.02982 176.6
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.