CID 9567735

Bdbm5044

Structural Information

Molecular Formula
C16H22ClN3O4S3
SMILES
CC1=C(S/C(=N\S(=O)(=O)C2=C(C=CC(=C2)Cl)NS(=O)(=O)C)/N1C)C(C)(C)C
InChI
InChI=1S/C16H22ClN3O4S3/c1-10-14(16(2,3)4)25-15(20(10)5)19-27(23,24)13-9-11(17)7-8-12(13)18-26(6,21)22/h7-9,18H,1-6H3/b19-15-
InChIKey
BOBRLPXEJQWZNI-CYVLTUHYSA-N
Compound name
(NZ)-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-5-chloro-2-(methanesulfonamido)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

451.0461 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.05338 207.1
[M+Na]+ 474.03532 216.2
[M-H]- 450.03882 213.5
[M+NH4]+ 469.07992 218.3
[M+K]+ 490.00926 208.1
[M+H-H2O]+ 434.04336 201.2
[M+HCOO]- 496.04430 209.4
[M+CH3COO]- 510.05995 228.7
[M+Na-2H]- 472.02077 208.8
[M]+ 451.04555 214.0
[M]- 451.04665 214.0
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.