CID 2060227

763126-29-0

Structural Information

Molecular Formula
C11H11FN4OS2
SMILES
CC1=C(C=C(C=C1)F)NC(=O)CSC2=NN=C(S2)N
InChI
InChI=1S/C11H11FN4OS2/c1-6-2-3-7(12)4-8(6)14-9(17)5-18-11-16-15-10(13)19-11/h2-4H,5H2,1H3,(H2,13,15)(H,14,17)
InChIKey
VLFCJOBGJCMOIR-UHFFFAOYSA-N
Compound name
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.03583 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.04311 159.9
[M+Na]+ 321.02505 169.4
[M-H]- 297.02855 162.8
[M+NH4]+ 316.06965 174.6
[M+K]+ 336.99899 163.0
[M+H-H2O]+ 281.03309 151.6
[M+HCOO]- 343.03403 172.4
[M+CH3COO]- 357.04968 203.2
[M+Na-2H]- 319.01050 158.9
[M]+ 298.03528 160.8
[M]- 298.03638 160.8
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.