CID 1888714

476484-10-3

Structural Information

Molecular Formula
C20H14Cl2N2S3
SMILES
C1=CC=C2C(=C1)C=CC=C2CSC3=NN=C(S3)SCC4=C(C=CC=C4Cl)Cl
InChI
InChI=1S/C20H14Cl2N2S3/c21-17-9-4-10-18(22)16(17)12-26-20-24-23-19(27-20)25-11-14-7-3-6-13-5-1-2-8-15(13)14/h1-10H,11-12H2
InChIKey
NSMSUVWLEVAZIF-UHFFFAOYSA-N
Compound name
2-[(2,6-dichlorophenyl)methylsulfanyl]-5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.9696 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.97688 195.2
[M+Na]+ 470.95882 213.5
[M+NH4]+ 466.00342 205.8
[M+K]+ 486.93276 197.8
[M-H]- 446.96232 202.8
[M+Na-2H]- 468.94427 204.5
[M]+ 447.96905 202.3
[M]- 447.97015 202.3
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.