CID 510303

Schembl7484809

Structural Information

Molecular Formula
C13H14Cl2N4OS2
SMILES
CCSCCNC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H14Cl2N4OS2/c1-2-21-6-5-16-12-18-19-13(22-12)17-11(20)8-3-4-9(14)10(15)7-8/h3-4,7H,2,5-6H2,1H3,(H,16,18)(H,17,19,20)
InChIKey
VHXFEVGLVJTFNV-UHFFFAOYSA-N
Compound name
3,4-dichloro-N-[5-(2-ethylsulfanylethylamino)-1,3,4-thiadiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

375.9986 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.00588 178.1
[M+Na]+ 398.98782 187.1
[M-H]- 374.99132 182.2
[M+NH4]+ 394.03242 191.4
[M+K]+ 414.96176 179.2
[M+H-H2O]+ 358.99586 171.9
[M+HCOO]- 420.99680 182.1
[M+CH3COO]- 435.01245 214.5
[M+Na-2H]- 396.97327 176.6
[M]+ 375.99805 184.1
[M]- 375.99915 184.1
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

patents stripe