CID 3009197

4-methoxy-n-phenoxathiin-2-yl-benzenesulfonamide

Structural Information

Molecular Formula
C19H15NO4S2
SMILES
COC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC4=CC=CC=C4S3
InChI
InChI=1S/C19H15NO4S2/c1-23-14-7-9-15(10-8-14)26(21,22)20-13-6-11-17-19(12-13)25-18-5-3-2-4-16(18)24-17/h2-12,20H,1H3
InChIKey
FWWDILMUCKZUDN-UHFFFAOYSA-N
Compound name
4-methoxy-N-phenoxathiin-2-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.04425 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.05153 182.0
[M+Na]+ 408.03347 190.5
[M-H]- 384.03697 190.2
[M+NH4]+ 403.07807 194.4
[M+K]+ 424.00741 185.7
[M+H-H2O]+ 368.04151 174.5
[M+HCOO]- 430.04245 192.6
[M+CH3COO]- 444.05810 192.1
[M+Na-2H]- 406.01892 190.4
[M]+ 385.04370 186.9
[M]- 385.04480 186.9
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.