CID 3009161

N-[4-(2,5-dimethoxyphenyl)-2-thiazolyl]-4-fluorobenzenesulfonamide

Structural Information

Molecular Formula
C17H15FN2O4S2
SMILES
COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NS(=O)(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C17H15FN2O4S2/c1-23-12-5-8-16(24-2)14(9-12)15-10-25-17(19-15)20-26(21,22)13-6-3-11(18)4-7-13/h3-10H,1-2H3,(H,19,20)
InChIKey
HDVKZPYSHMUISS-UHFFFAOYSA-N
Compound name
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.04572 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.05300 187.7
[M+Na]+ 417.03494 197.6
[M-H]- 393.03844 195.6
[M+NH4]+ 412.07954 199.9
[M+K]+ 433.00888 191.3
[M+H-H2O]+ 377.04298 179.1
[M+HCOO]- 439.04392 201.1
[M+CH3COO]- 453.05957 216.6
[M+Na-2H]- 415.02039 188.5
[M]+ 394.04517 193.3
[M]- 394.04627 193.3
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.