CID 167252

Dpdids

Structural Information

Molecular Formula
C18H12N2S4
SMILES
C1=CC=C(C=C1)C2=CC(=NS2)SSC3=NSC(=C3)C4=CC=CC=C4
InChI
InChI=1S/C18H12N2S4/c1-3-7-13(8-4-1)15-11-17(19-21-15)23-24-18-12-16(22-20-18)14-9-5-2-6-10-14/h1-12H
InChIKey
NVJLHGOWQFPKFH-UHFFFAOYSA-N
Compound name
5-phenyl-3-[(5-phenyl-1,2-thiazol-3-yl)disulfanyl]-1,2-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

383.98834 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.99562 182.6
[M+Na]+ 406.97756 197.3
[M-H]- 382.98106 192.8
[M+NH4]+ 402.02216 197.0
[M+K]+ 422.95150 186.8
[M+H-H2O]+ 366.98560 178.1
[M+HCOO]- 428.98654 189.1
[M+CH3COO]- 443.00219 193.5
[M+Na-2H]- 404.96301 181.5
[M]+ 383.98779 185.0
[M]- 383.98889 185.0
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.