CID 978972

58590-31-1

Structural Information

Molecular Formula
C17H15N3O4S2
SMILES
C1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3
InChI
InChI=1S/C17H15N3O4S2/c21-16(12-24-14-4-2-1-3-5-14)19-13-6-8-15(9-7-13)26(22,23)20-17-18-10-11-25-17/h1-11H,12H2,(H,18,20)(H,19,21)
InChIKey
NZLZHGMARVZMOL-UHFFFAOYSA-N
Compound name
2-phenoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

389.05038 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.05766 187.2
[M+Na]+ 412.03960 193.8
[M-H]- 388.04310 195.3
[M+NH4]+ 407.08420 198.4
[M+K]+ 428.01354 187.8
[M+H-H2O]+ 372.04764 178.9
[M+HCOO]- 434.04858 201.9
[M+CH3COO]- 448.06423 215.0
[M+Na-2H]- 410.02505 190.8
[M]+ 389.04983 190.4
[M]- 389.05093 190.4
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

patents stripe