CID 471778

Chembl440929

Structural Information

Molecular Formula
C17H13N3O4S2
SMILES
CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4S3
InChI
InChI=1S/C17H13N3O4S2/c1-11-10-16(18-24-11)19-26(22,23)13-8-6-12(7-9-13)20-17(21)14-4-2-3-5-15(14)25-20/h2-10H,1H3,(H,18,19)
InChIKey
KHPVFQXIDLWSKT-UHFFFAOYSA-N
Compound name
N-(5-methyl-1,2-oxazol-3-yl)-4-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

387.03476 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.04204 188.3
[M+Na]+ 410.02398 201.7
[M-H]- 386.02748 199.5
[M+NH4]+ 405.06858 201.7
[M+K]+ 425.99792 196.8
[M+H-H2O]+ 370.03202 182.8
[M+HCOO]- 432.03296 203.6
[M+CH3COO]- 446.04861 200.5
[M+Na-2H]- 408.00943 191.2
[M]+ 387.03421 196.9
[M]- 387.03531 196.9
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.