CID 3009169

4-fluoro-n-[4-(3,4,5-trimethoxy-phenyl)-thiazol-2-yl]-benzenesulfonamide

Structural Information

Molecular Formula
C18H17FN2O5S2
SMILES
COC1=CC(=CC(=C1OC)OC)C2=CSC(=N2)NS(=O)(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C18H17FN2O5S2/c1-24-15-8-11(9-16(25-2)17(15)26-3)14-10-27-18(20-14)21-28(22,23)13-6-4-12(19)5-7-13/h4-10H,1-3H3,(H,20,21)
InChIKey
TXQZGNCIBVCQIR-UHFFFAOYSA-N
Compound name
4-fluoro-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

424.0563 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.06358 194.9
[M+Na]+ 447.04552 204.6
[M-H]- 423.04902 202.9
[M+NH4]+ 442.09012 206.0
[M+K]+ 463.01946 198.9
[M+H-H2O]+ 407.05356 186.1
[M+HCOO]- 469.05450 208.1
[M+CH3COO]- 483.07015 222.9
[M+Na-2H]- 445.03097 195.2
[M]+ 424.05575 202.5
[M]- 424.05685 202.5
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.