CID 9567729

Bdbm5038

Structural Information

Molecular Formula
C15H20N2O3S2
SMILES
CC1=C(S/C(=N\S(=O)(=O)C2=CC=C(C=C2)O)/N1C)C(C)(C)C
InChI
InChI=1S/C15H20N2O3S2/c1-10-13(15(2,3)4)21-14(17(10)5)16-22(19,20)12-8-6-11(18)7-9-12/h6-9,18H,1-5H3/b16-14-
InChIKey
MLBKSEMTUWTHSO-PEZBUJJGSA-N
Compound name
(NZ)-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-4-hydroxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.09152 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.09880 179.4
[M+Na]+ 363.08074 189.4
[M-H]- 339.08424 185.7
[M+NH4]+ 358.12534 194.6
[M+K]+ 379.05468 183.8
[M+H-H2O]+ 323.08878 173.2
[M+HCOO]- 385.08972 191.2
[M+CH3COO]- 399.10537 208.5
[M+Na-2H]- 361.06619 179.8
[M]+ 340.09097 184.9
[M]- 340.09207 184.9
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.