CID 11964458

913186-74-0

Structural Information

Molecular Formula
C15H11FN2OS2
SMILES
CC1=C(SC(=N1)NC2=CC=C(C=C2)F)C(=O)C3=CSC=C3
InChI
InChI=1S/C15H11FN2OS2/c1-9-14(13(19)10-6-7-20-8-10)21-15(17-9)18-12-4-2-11(16)3-5-12/h2-8H,1H3,(H,17,18)
InChIKey
PEAMDZVDNYENPN-UHFFFAOYSA-N
Compound name
[2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]-thiophen-3-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

76
Patents

318.0297 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.03698 168.2
[M+Na]+ 341.01892 180.2
[M+NH4]+ 336.06352 176.6
[M+K]+ 356.99286 172.8
[M-H]- 317.02242 172.8
[M+Na-2H]- 339.00437 175.9
[M]+ 318.02915 172.1
[M]- 318.03025 172.1
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

patents stripe