CID 504303

Chembl4067954

Structural Information

Molecular Formula
C19H17F2N3O3S2
SMILES
CC1=C(SC(=N1)N(C)C(=O)CC2=CC=C(C=C2)C3=C(C=CC(=C3)F)F)S(=O)(=O)N
InChI
InChI=1S/C19H17F2N3O3S2/c1-11-18(29(22,26)27)28-19(23-11)24(2)17(25)9-12-3-5-13(6-4-12)15-10-14(20)7-8-16(15)21/h3-8,10H,9H2,1-2H3,(H2,22,26,27)
InChIKey
YNKWCMMFCLRLDC-UHFFFAOYSA-N
Compound name
2-[4-(2,5-difluorophenyl)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

37
Patents

437.06793 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.07521 198.2
[M+Na]+ 460.05715 207.1
[M-H]- 436.06065 205.5
[M+NH4]+ 455.10175 208.8
[M+K]+ 476.03109 200.5
[M+H-H2O]+ 420.06519 188.4
[M+HCOO]- 482.06613 209.3
[M+CH3COO]- 496.08178 231.2
[M+Na-2H]- 458.04260 195.5
[M]+ 437.06738 200.9
[M]- 437.06848 200.9
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