CID 3009168

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

Structural Information

Molecular Formula
C18H17ClN2O5S2
SMILES
COC1=CC(=CC(=C1OC)OC)C2=CSC(=N2)NS(=O)(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H17ClN2O5S2/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
NKMCSRFMGOQYHC-UHFFFAOYSA-N
Compound name
4-chloro-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

440.02673 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.03401 198.7
[M+Na]+ 463.01595 208.9
[M-H]- 439.01945 208.4
[M+NH4]+ 458.06055 210.2
[M+K]+ 478.98989 202.7
[M+H-H2O]+ 423.02399 191.8
[M+HCOO]- 485.02493 208.5
[M+CH3COO]- 499.04058 223.7
[M+Na-2H]- 461.00140 199.2
[M]+ 440.02618 209.3
[M]- 440.02728 209.3
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.