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

literature stripe

Patent stripe

patents stripe