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]+ 418.08898 196.2
[M+Na]+ 440.07092 203.3
[M-H]- 416.07442 204.7
[M+NH4]+ 435.11552 206.8
[M+K]+ 456.04486 197.0
[M+H-H2O]+ 400.07896 187.9
[M+HCOO]- 462.07990 210.1
[M+CH3COO]- 476.09555 223.2
[M+Na-2H]- 438.05637 197.7
[M]+ 417.08115 200.9
[M]- 417.08225 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.