CID 6885960

315201-14-0

Structural Information

Molecular Formula
C16H14N4O2S3
SMILES
C1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)N/N=C/C3=CC=CO3
InChI
InChI=1S/C16H14N4O2S3/c21-14(18-17-9-13-7-4-8-22-13)11-24-16-20-19-15(25-16)23-10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,18,21)/b17-9+
InChIKey
LEVUKXJXYKHQGL-RQZCQDPDSA-N
Compound name
2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(E)-furan-2-ylmethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.0279 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.03518 180.8
[M+Na]+ 413.01712 191.3
[M+NH4]+ 408.06172 188.1
[M+K]+ 428.99106 182.8
[M-H]- 389.02062 187.3
[M+Na-2H]- 411.00257 187.6
[M]+ 390.02735 185.3
[M]- 390.02845 185.3
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.