CID 954204

481691-44-5

Structural Information

Molecular Formula
C10H8Cl2N4OS2
SMILES
C1=CC(=C(C(=C1)Cl)Cl)NC(=O)CSC2=NN=C(S2)N
InChI
InChI=1S/C10H8Cl2N4OS2/c11-5-2-1-3-6(8(5)12)14-7(17)4-18-10-16-15-9(13)19-10/h1-3H,4H2,(H2,13,15)(H,14,17)
InChIKey
YDQPDLUQBVHVGM-UHFFFAOYSA-N
Compound name
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,3-dichlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.95166 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.95894 166.0
[M+Na]+ 356.94088 176.3
[M-H]- 332.94438 170.1
[M+NH4]+ 351.98548 180.6
[M+K]+ 372.91482 168.7
[M+H-H2O]+ 316.94892 160.4
[M+HCOO]- 378.94986 170.3
[M+CH3COO]- 392.96551 176.5
[M+Na-2H]- 354.92633 164.8
[M]+ 333.95111 170.0
[M]- 333.95221 170.0
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.