CID 3009170

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

Structural Information

Molecular Formula
C18H16Cl2N2O5S2
SMILES
COC1=CC(=CC(=C1OC)OC)C2=CSC(=N2)NS(=O)(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H16Cl2N2O5S2/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
ITSDVOXGPCAIKS-UHFFFAOYSA-N
Compound name
2,4-dichloro-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

473.98776 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.99504 203.5
[M+Na]+ 496.97698 214.3
[M-H]- 472.98048 213.1
[M+NH4]+ 492.02158 214.5
[M+K]+ 512.95092 207.8
[M+H-H2O]+ 456.98502 197.6
[M+HCOO]- 518.98596 208.4
[M+CH3COO]- 533.00161 228.7
[M+Na-2H]- 494.96243 202.9
[M]+ 473.98721 215.6
[M]- 473.98831 215.6
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.