CID 685006

304662-71-3

Structural Information

Molecular Formula
C11H12N4OS2
SMILES
CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)N
InChI
InChI=1S/C11H12N4OS2/c1-7-2-4-8(5-3-7)13-9(16)6-17-11-15-14-10(12)18-11/h2-5H,6H2,1H3,(H2,12,14)(H,13,16)
InChIKey
CJEGUVOYHRXLTE-UHFFFAOYSA-N
Compound name
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

280.04526 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.05254 158.1
[M+Na]+ 303.03448 167.0
[M-H]- 279.03798 162.2
[M+NH4]+ 298.07908 173.4
[M+K]+ 319.00842 161.0
[M+H-H2O]+ 263.04252 150.6
[M+HCOO]- 325.04346 171.7
[M+CH3COO]- 339.05911 199.4
[M+Na-2H]- 301.01993 158.2
[M]+ 280.04471 159.6
[M]- 280.04581 159.6
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