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]+ 350.06276 176.4
[M+Na]+ 372.04470 186.7
[M-H]- 348.04820 182.8
[M+NH4]+ 367.08930 191.2
[M+K]+ 388.01864 180.2
[M+H-H2O]+ 332.05274 169.7
[M+HCOO]- 394.05368 191.4
[M+CH3COO]- 408.06933 210.9
[M+Na-2H]- 370.03015 181.0
[M]+ 349.05493 181.8
[M]- 349.05603 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.