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 185.9
[M+Na]+ 413.01712 196.3
[M-H]- 389.02062 195.4
[M+NH4]+ 408.06172 198.4
[M+K]+ 428.99106 189.8
[M+H-H2O]+ 373.02516 179.2
[M+HCOO]- 435.02610 198.6
[M+CH3COO]- 449.04175 196.4
[M+Na-2H]- 411.00257 186.5
[M]+ 390.02735 192.0
[M]- 390.02845 192.0
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.