CID 471791

Chembl168853

Structural Information

Molecular Formula
C18H15N3O4S2
SMILES
CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4S3
InChI
InChI=1S/C18H15N3O4S2/c1-11-12(2)19-25-17(11)20-27(23,24)14-9-7-13(8-10-14)21-18(22)15-5-3-4-6-16(15)26-21/h3-10,20H,1-2H3
InChIKey
MQVZIEIKKGMFBD-UHFFFAOYSA-N
Compound name
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

401.05038 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.05766 193.1
[M+Na]+ 424.03960 206.7
[M-H]- 400.04310 204.4
[M+NH4]+ 419.08420 206.1
[M+K]+ 440.01354 201.5
[M+H-H2O]+ 384.04764 187.6
[M+HCOO]- 446.04858 207.9
[M+CH3COO]- 460.06423 205.0
[M+Na-2H]- 422.02505 194.8
[M]+ 401.04983 202.4
[M]- 401.05093 202.4
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.