CID 497693

N-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3]benzothiazole-1-sulfonamide

Structural Information

Molecular Formula
C14H9FN4O2S2
SMILES
C1=CC=C2C(=C1)N3C(=NN=C3S(=O)(=O)NC4=CC=C(C=C4)F)S2
InChI
InChI=1S/C14H9FN4O2S2/c15-9-5-7-10(8-6-9)18-23(20,21)14-17-16-13-19(14)11-3-1-2-4-12(11)22-13/h1-8,18H
InChIKey
OSFIPCMFECJZLZ-UHFFFAOYSA-N
Compound name
N-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3]benzothiazole-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.0151 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.02238 174.2
[M+Na]+ 371.00432 189.5
[M-H]- 347.00782 180.2
[M+NH4]+ 366.04892 190.6
[M+K]+ 386.97826 182.8
[M+H-H2O]+ 331.01236 168.1
[M+HCOO]- 393.01330 188.3
[M+CH3COO]- 407.02895 186.7
[M+Na-2H]- 368.98977 179.3
[M]+ 348.01455 181.7
[M]- 348.01565 181.7
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.