CID 978473

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

Structural Information

Molecular Formula
C21H17N3O4S2
SMILES
C1=CC=C2C=C(C=CC2=C1)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4
InChI
InChI=1S/C21H17N3O4S2/c25-20(14-28-18-8-5-15-3-1-2-4-16(15)13-18)23-17-6-9-19(10-7-17)30(26,27)24-21-22-11-12-29-21/h1-13H,14H2,(H,22,24)(H,23,25)
InChIKey
MTYHKSZQRUWPBN-UHFFFAOYSA-N
Compound name
2-naphthalen-2-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

439.06604 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.073316 199.0
[M+Na]+ 462.055258 206.9
[M-H]- 438.058764 208.2
[M+NH4]+ 457.099863 209.4
[M+K]+ 478.029198 200.2
[M+H-H2O]+ 422.063300 190.9
[M+HCOO]- 484.064241 213.7
[M+CH3COO]- 498.079891 208.1
[M+Na-2H]- 460.040706 204.8
[M]+ 439.06549142 204.5
[M]- 439.06658858 204.5
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