CID 951101

690688-75-6

Structural Information

Molecular Formula
C11H11ClN4OS2
SMILES
CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(S2)N)Cl
InChI
InChI=1S/C11H11ClN4OS2/c1-6-2-3-7(4-8(6)12)14-9(17)5-18-11-16-15-10(13)19-11/h2-4H,5H2,1H3,(H2,13,15)(H,14,17)
InChIKey
ZZONUABVZBDGKY-UHFFFAOYSA-N
Compound name
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

314.0063 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.01358 166.6
[M+Na]+ 336.99552 177.5
[M+NH4]+ 332.04012 174.2
[M+K]+ 352.96946 169.4
[M-H]- 312.99902 169.9
[M+Na-2H]- 334.98097 171.9
[M]+ 314.00575 170.0
[M]- 314.00685 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

literature stripe

Patent stripe

No patent data available for this compound.