CID 3009171

2,4-difluoro-n-[4-(3,4,5-trimethoxyphenyl)thiazol-2-yl]benzenesulfonamide

Structural Information

Molecular Formula
C18H16F2N2O5S2
SMILES
COC1=CC(=CC(=C1OC)OC)C2=CSC(=N2)NS(=O)(=O)C3=C(C=C(C=C3)F)F
InChI
InChI=1S/C18H16F2N2O5S2/c1-25-14-6-10(7-15(26-2)17(14)27-3)13-9-28-18(21-13)22-29(23,24)16-5-4-11(19)8-12(16)20/h4-9H,1-3H3,(H,21,22)
InChIKey
NEUPGCAJZWSBDU-UHFFFAOYSA-N
Compound name
2,4-difluoro-N-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.04688 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.05416 197.0
[M+Na]+ 465.03610 207.3
[M-H]- 441.03960 203.8
[M+NH4]+ 460.08070 207.4
[M+K]+ 481.01004 201.2
[M+H-H2O]+ 425.04414 187.4
[M+HCOO]- 487.04508 209.0
[M+CH3COO]- 501.06073 226.7
[M+Na-2H]- 463.02155 196.1
[M]+ 442.04633 204.0
[M]- 442.04743 204.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.