CID 978672

2-(2,3-dimethylphenoxy)-n-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide

Structural Information

Molecular Formula
C19H19N3O4S2
SMILES
CC1=C(C(=CC=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)C
InChI
InChI=1S/C19H19N3O4S2/c1-13-4-3-5-17(14(13)2)26-12-18(23)21-15-6-8-16(9-7-15)28(24,25)22-19-20-10-11-27-19/h3-11H,12H2,1-2H3,(H,20,22)(H,21,23)
InChIKey
DZTQIVSLOUQDBL-UHFFFAOYSA-N
Compound name
2-(2,3-dimethylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

417.0817 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.088976 196.2
[M+Na]+ 440.070918 203.3
[M-H]- 416.074424 204.7
[M+NH4]+ 435.115523 206.8
[M+K]+ 456.044858 197.0
[M+H-H2O]+ 400.078960 187.9
[M+HCOO]- 462.079901 210.1
[M+CH3COO]- 476.095551 223.2
[M+Na-2H]- 438.056366 197.7
[M]+ 417.08115142 200.9
[M]- 417.08224858 200.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.