CID 504302

Schembl1177266

Structural Information

Molecular Formula
C19H18FN3O3S2
SMILES
CC1=C(SC(=N1)N(C)C(=O)CC2=CC=C(C=C2)C3=CC=CC=C3F)S(=O)(=O)N
InChI
InChI=1S/C19H18FN3O3S2/c1-12-18(28(21,25)26)27-19(22-12)23(2)17(24)11-13-7-9-14(10-8-13)15-5-3-4-6-16(15)20/h3-10H,11H2,1-2H3,(H2,21,25,26)
InChIKey
IAGBPTKVLHJTBL-UHFFFAOYSA-N
Compound name
2-[4-(2-fluorophenyl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

34
Patents

419.07736 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.08464 196.2
[M+Na]+ 442.06658 204.4
[M-H]- 418.07008 204.5
[M+NH4]+ 437.11118 207.3
[M+K]+ 458.04052 198.2
[M+H-H2O]+ 402.07462 187.1
[M+HCOO]- 464.07556 208.4
[M+CH3COO]- 478.09121 227.4
[M+Na-2H]- 440.05203 194.5
[M]+ 419.07681 199.4
[M]- 419.07791 199.4
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