CID 390165

Nsc687310

Structural Information

Molecular Formula
C17H13N3S3
SMILES
CCSC1=NN(C(=S)S1)C2=C3C=CC=CC3=NC4=CC=CC=C42
InChI
InChI=1S/C17H13N3S3/c1-2-22-16-19-20(17(21)23-16)15-11-7-3-5-9-13(11)18-14-10-6-4-8-12(14)15/h3-10H,2H2,1H3
InChIKey
WOELHTGKZYFIQW-UHFFFAOYSA-N
Compound name
3-acridin-9-yl-5-ethylsulfanyl-1,3,4-thiadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.02716 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.03444 173.2
[M+Na]+ 378.01638 188.1
[M-H]- 354.01988 178.2
[M+NH4]+ 373.06098 188.0
[M+K]+ 393.99032 178.2
[M+H-H2O]+ 338.02442 167.6
[M+HCOO]- 400.02536 179.7
[M+CH3COO]- 414.04101 184.3
[M+Na-2H]- 376.00183 176.0
[M]+ 355.02661 178.9
[M]- 355.02771 178.9
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.