CID 3009209

N-[4-(phenoxathiin-2-ylsulfamoyl)phenyl]acetamide

Structural Information

Molecular Formula
C20H16N2O4S2
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC4=CC=CC=C4S3
InChI
InChI=1S/C20H16N2O4S2/c1-13(23)21-14-6-9-16(10-7-14)28(24,25)22-15-8-11-18-20(12-15)27-19-5-3-2-4-17(19)26-18/h2-12,22H,1H3,(H,21,23)
InChIKey
PUIYSTPKDSNULT-UHFFFAOYSA-N
Compound name
N-[4-(phenoxathiin-2-ylsulfamoyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.05515 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.06243 188.0
[M+Na]+ 435.04437 194.9
[M-H]- 411.04787 195.6
[M+NH4]+ 430.08897 198.7
[M+K]+ 451.01831 189.9
[M+H-H2O]+ 395.05241 180.3
[M+HCOO]- 457.05335 198.1
[M+CH3COO]- 471.06900 197.0
[M+Na-2H]- 433.02982 196.3
[M]+ 412.05460 191.3
[M]- 412.05570 191.3
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

No patent data available for this compound.