CID 365126

Nsc632226

Structural Information

Molecular Formula
C15H13N3O3S2
SMILES
C1=CC=C2C(=C1)N=C(S2)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N
InChI
InChI=1S/C15H13N3O3S2/c16-23(20,21)11-7-5-10(6-8-11)17-14(19)9-15-18-12-3-1-2-4-13(12)22-15/h1-8H,9H2,(H,17,19)(H2,16,20,21)
InChIKey
ORXWNCCBUMNYFE-UHFFFAOYSA-N
Compound name
2-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.03983 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.04711 176.5
[M+Na]+ 370.02905 186.0
[M-H]- 346.03255 182.7
[M+NH4]+ 365.07365 191.0
[M+K]+ 386.00299 179.5
[M+H-H2O]+ 330.03709 169.8
[M+HCOO]- 392.03803 190.7
[M+CH3COO]- 406.05368 209.2
[M+Na-2H]- 368.01450 180.8
[M]+ 347.03928 180.2
[M]- 347.04038 180.2
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.