CID 151534

58590-35-5

Structural Information

Molecular Formula
C17H14ClN3O4S2
SMILES
C1=CC(=CC=C1NC(=O)COC2=CC=C(C=C2)Cl)S(=O)(=O)NC3=NC=CS3
InChI
InChI=1S/C17H14ClN3O4S2/c18-12-1-5-14(6-2-12)25-11-16(22)20-13-3-7-15(8-4-13)27(23,24)21-17-19-9-10-26-17/h1-10H,11H2,(H,19,21)(H,20,22)
InChIKey
QEMRCLGXBPTDTQ-UHFFFAOYSA-N
Compound name
2-(4-chlorophenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

423.0114 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.01868 193.6
[M+Na]+ 446.00062 201.4
[M-H]- 422.00412 202.3
[M+NH4]+ 441.04522 204.7
[M+K]+ 461.97456 194.4
[M+H-H2O]+ 406.00866 186.3
[M+HCOO]- 468.00960 203.8
[M+CH3COO]- 482.02525 219.6
[M+Na-2H]- 443.98607 196.2
[M]+ 423.01085 199.4
[M]- 423.01195 199.4
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