CID 25227086

Chembl485231

Structural Information

Molecular Formula
C16H10ClF2N3OS2
SMILES
C1=CC=C(C(=C1)NC(=O)CSC2=C(N=NS2)C3=C(C=C(C=C3)F)F)Cl
InChI
InChI=1S/C16H10ClF2N3OS2/c17-11-3-1-2-4-13(11)20-14(23)8-24-16-15(21-22-25-16)10-6-5-9(18)7-12(10)19/h1-7H,8H2,(H,20,23)
InChIKey
MRINRINDAOPREG-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-2-[4-(2,4-difluorophenyl)thiadiazol-5-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

396.9922 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.99948 180.5
[M+Na]+ 419.98142 191.7
[M-H]- 395.98492 185.9
[M+NH4]+ 415.02602 192.6
[M+K]+ 435.95536 182.7
[M+H-H2O]+ 379.98946 171.4
[M+HCOO]- 441.99040 187.3
[M+CH3COO]- 456.00605 190.5
[M+Na-2H]- 417.96687 178.4
[M]+ 396.99165 184.1
[M]- 396.99275 184.1
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.