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]+ 440.07332 199.0
[M+Na]+ 462.05526 206.9
[M-H]- 438.05876 208.2
[M+NH4]+ 457.09986 209.4
[M+K]+ 478.02920 200.2
[M+H-H2O]+ 422.06330 190.9
[M+HCOO]- 484.06424 213.7
[M+CH3COO]- 498.07989 208.1
[M+Na-2H]- 460.04071 204.8
[M]+ 439.06549 204.5
[M]- 439.06659 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