CID 9567738

Bdbm5047

Structural Information

Molecular Formula
C16H18ClN3O2S2
SMILES
CC1=C(S/C(=N\S(=O)(=O)C2=C(C=CC(=C2)Cl)C#N)/N1C)C(C)(C)C
InChI
InChI=1S/C16H18ClN3O2S2/c1-10-14(16(2,3)4)23-15(20(10)5)19-24(21,22)13-8-12(17)7-6-11(13)9-18/h6-8H,1-5H3/b19-15-
InChIKey
JUDJXEWXQVMSAD-CYVLTUHYSA-N
Compound name
(NZ)-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-5-chloro-2-cyanobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

383.0529 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.06018 204.3
[M+Na]+ 406.04212 217.3
[M-H]- 382.04562 211.7
[M+NH4]+ 401.08672 218.0
[M+K]+ 422.01606 211.1
[M+H-H2O]+ 366.05016 191.8
[M+HCOO]- 428.05110 209.5
[M+CH3COO]- 442.06675 225.9
[M+Na-2H]- 404.02757 202.0
[M]+ 383.05235 206.5
[M]- 383.05345 206.5
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.