CID 2883320

424803-64-5

Structural Information

Molecular Formula
C18H14F2N4O2S3
SMILES
C1=CC(=CC=C1NC(=O)CSC2=NSC(=N2)SCC(=O)NC3=CC=C(C=C3)F)F
InChI
InChI=1S/C18H14F2N4O2S3/c19-11-1-5-13(6-2-11)21-15(25)9-27-17-23-18(29-24-17)28-10-16(26)22-14-7-3-12(20)4-8-14/h1-8H,9-10H2,(H,21,25)(H,22,26)
InChIKey
USUDCMXSAMEYIP-UHFFFAOYSA-N
Compound name
2-[[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-1,2,4-thiadiazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

452.0247 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.03198 187.3
[M+Na]+ 475.01392 195.2
[M+NH4]+ 470.05852 192.3
[M+K]+ 490.98786 186.6
[M-H]- 451.01742 189.2
[M+Na-2H]- 472.99937 192.8
[M]+ 452.02415 189.8
[M]- 452.02525 189.8
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.