CID 3009163

N-[4-(2,5-dimethoxy-phenyl)-thiazol-2-yl]-2,4-difluoro-benzenesulfonamide

Structural Information

Molecular Formula
C17H14F2N2O4S2
SMILES
COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NS(=O)(=O)C3=C(C=C(C=C3)F)F
InChI
InChI=1S/C17H14F2N2O4S2/c1-24-11-4-5-15(25-2)12(8-11)14-9-26-17(20-14)21-27(22,23)16-6-3-10(18)7-13(16)19/h3-9H,1-2H3,(H,20,21)
InChIKey
IRCQXLVGALBLHD-UHFFFAOYSA-N
Compound name
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.03632 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.04360 189.7
[M+Na]+ 435.02554 200.3
[M-H]- 411.02904 196.5
[M+NH4]+ 430.07014 201.4
[M+K]+ 450.99948 193.6
[M+H-H2O]+ 395.03358 180.3
[M+HCOO]- 457.03452 202.0
[M+CH3COO]- 471.05017 220.5
[M+Na-2H]- 433.01099 189.4
[M]+ 412.03577 194.8
[M]- 412.03687 194.8
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.