CID 3009202

Benzenemethanesulfonamide, n-2-phenoxathiinyl-

Structural Information

Molecular Formula
C19H15NO3S2
SMILES
C1=CC=C(C=C1)CS(=O)(=O)NC2=CC3=C(C=C2)OC4=CC=CC=C4S3
InChI
InChI=1S/C19H15NO3S2/c21-25(22,13-14-6-2-1-3-7-14)20-15-10-11-17-19(12-15)24-18-9-5-4-8-16(18)23-17/h1-12,20H,13H2
InChIKey
NKBRHKDQSYFSNL-UHFFFAOYSA-N
Compound name
N-phenoxathiin-2-yl-1-phenylmethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.04935 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.05663 177.9
[M+Na]+ 392.03857 186.1
[M-H]- 368.04207 185.9
[M+NH4]+ 387.08317 190.9
[M+K]+ 408.01251 180.6
[M+H-H2O]+ 352.04661 170.6
[M+HCOO]- 414.04755 188.5
[M+CH3COO]- 428.06320 188.0
[M+Na-2H]- 390.02402 186.6
[M]+ 369.04880 181.1
[M]- 369.04990 181.1
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.