CID 25226898

Chembl485394

Structural Information

Molecular Formula
C17H14FN3O2S2
SMILES
COC1=CC=C(C=C1)C2=C(SN=N2)SCC(=O)NC3=CC=CC=C3F
InChI
InChI=1S/C17H14FN3O2S2/c1-23-12-8-6-11(7-9-12)16-17(25-21-20-16)24-10-15(22)19-14-5-3-2-4-13(14)18/h2-9H,10H2,1H3,(H,19,22)
InChIKey
LDGJBHLHBMLKQA-UHFFFAOYSA-N
Compound name
N-(2-fluorophenyl)-2-[4-(4-methoxyphenyl)thiadiazol-5-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

375.05115 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.05843 180.9
[M+Na]+ 398.04037 190.2
[M-H]- 374.04387 187.3
[M+NH4]+ 393.08497 192.8
[M+K]+ 414.01431 183.1
[M+H-H2O]+ 358.04841 171.7
[M+HCOO]- 420.04935 193.3
[M+CH3COO]- 434.06500 190.9
[M+Na-2H]- 396.02582 180.1
[M]+ 375.05060 184.6
[M]- 375.05170 184.6
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.