CID 232590

Nsc30260

Structural Information

Molecular Formula
C15H15N3O3S2
SMILES
CCOC1=CC2=C(C=C1)SC(=N2)NS(=O)(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C15H15N3O3S2/c1-2-21-11-5-8-14-13(9-11)17-15(22-14)18-23(19,20)12-6-3-10(16)4-7-12/h3-9H,2,16H2,1H3,(H,17,18)
InChIKey
FLEJPAWGVHCTAQ-UHFFFAOYSA-N
Compound name
4-amino-N-(5-ethoxy-1,3-benzothiazol-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

349.05548 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.062756 176.4
[M+Na]+ 372.044698 186.7
[M-H]- 348.048204 182.8
[M+NH4]+ 367.089303 191.2
[M+K]+ 388.018638 180.2
[M+H-H2O]+ 332.052740 169.7
[M+HCOO]- 394.053681 191.4
[M+CH3COO]- 408.069331 210.9
[M+Na-2H]- 370.030146 181.0
[M]+ 349.05493142 181.8
[M]- 349.05602858 181.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.