CID 3001196

Akos024355465

Structural Information

Molecular Formula
C19H15NO3S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC4=CC=CC=C4S3
InChI
InChI=1S/C19H15NO3S2/c1-13-6-9-15(10-7-13)25(21,22)20-14-8-11-17-19(12-14)24-18-5-3-2-4-16(18)23-17/h2-12,20H,1H3
InChIKey
JZRLNWHFRJUMEC-UHFFFAOYSA-N
Compound name
4-methyl-N-phenoxathiin-2-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.04935 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.05663 178.7
[M+Na]+ 392.03857 187.6
[M-H]- 368.04207 187.0
[M+NH4]+ 387.08317 191.9
[M+K]+ 408.01251 182.1
[M+H-H2O]+ 352.04661 171.4
[M+HCOO]- 414.04755 189.1
[M+CH3COO]- 428.06320 189.0
[M+Na-2H]- 390.02402 186.7
[M]+ 369.04880 182.3
[M]- 369.04990 182.3
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.