CID 5722610

Chembl235747

Structural Information

Molecular Formula
C15H20N2O2S2
SMILES
CC1=C(S/C(=N\S(=O)(=O)C2=CC=CC=C2)/N1C)C(C)(C)C
InChI
InChI=1S/C15H20N2O2S2/c1-11-13(15(2,3)4)20-14(17(11)5)16-21(18,19)12-9-7-6-8-10-12/h6-10H,1-5H3/b16-14-
InChIKey
XYRMLZVYRVONRR-PEZBUJJGSA-N
Compound name
(NZ)-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

324.09662 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.10390 176.5
[M+Na]+ 347.08584 186.7
[M-H]- 323.08934 184.0
[M+NH4]+ 342.13044 193.0
[M+K]+ 363.05978 181.4
[M+H-H2O]+ 307.09388 169.9
[M+HCOO]- 369.09482 189.7
[M+CH3COO]- 383.11047 207.6
[M+Na-2H]- 345.07129 177.3
[M]+ 324.09607 182.1
[M]- 324.09717 182.1
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.