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 164.8
[M+Na]+ 336.99552 174.7
[M-H]- 312.99902 169.2
[M+NH4]+ 332.04012 179.8
[M+K]+ 352.96946 167.5
[M+H-H2O]+ 297.00356 158.2
[M+HCOO]- 359.00450 173.7
[M+CH3COO]- 373.02015 175.7
[M+Na-2H]- 334.98097 163.7
[M]+ 314.00575 168.4
[M]- 314.00685 168.4
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.