CID 3009193

3-amino-n-phenoxathiin-2-yl-benzenesulfonamide

Structural Information

Molecular Formula
C18H14N2O3S2
SMILES
C1=CC=C2C(=C1)OC3=C(S2)C=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)N
InChI
InChI=1S/C18H14N2O3S2/c19-12-4-3-5-14(10-12)25(21,22)20-13-8-9-16-18(11-13)24-17-7-2-1-6-15(17)23-16/h1-11,20H,19H2
InChIKey
JVNAQXQOSQLDAT-UHFFFAOYSA-N
Compound name
3-amino-N-phenoxathiin-2-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.0446 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.05188 176.7
[M+Na]+ 393.03382 185.1
[M-H]- 369.03732 184.3
[M+NH4]+ 388.07842 189.2
[M+K]+ 409.00776 179.3
[M+H-H2O]+ 353.04186 169.5
[M+HCOO]- 415.04280 187.7
[M+CH3COO]- 429.05845 186.7
[M+Na-2H]- 391.01927 185.4
[M]+ 370.04405 178.5
[M]- 370.04515 178.5
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

No patent data available for this compound.