CID 390166

Nsc687311

Structural Information

Molecular Formula
C17H13N3S3
SMILES
CCSC1=NN=C(S1)SC2=C3C=CC=CC3=NC4=CC=CC=C42
InChI
InChI=1S/C17H13N3S3/c1-2-21-16-19-20-17(23-16)22-15-11-7-3-5-9-13(11)18-14-10-6-4-8-12(14)15/h3-10H,2H2,1H3
InChIKey
LSBMWMCHCWBNBV-UHFFFAOYSA-N
Compound name
2-acridin-9-ylsulfanyl-5-ethylsulfanyl-1,3,4-thiadiazole
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 171.5
[M+Na]+ 378.01638 185.6
[M-H]- 354.01988 176.2
[M+NH4]+ 373.06098 186.2
[M+K]+ 393.99032 176.3
[M+H-H2O]+ 338.02442 165.8
[M+HCOO]- 400.02536 178.1
[M+CH3COO]- 414.04101 182.5
[M+Na-2H]- 376.00183 175.2
[M]+ 355.02661 177.5
[M]- 355.02771 177.5
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.