CID 9567733

Bdbm5042

Structural Information

Molecular Formula
C15H20ClN3O2S2
SMILES
CC1=C(S/C(=N\S(=O)(=O)C2=C(C=CC(=C2)Cl)N)/N1C)C(C)(C)C
InChI
InChI=1S/C15H20ClN3O2S2/c1-9-13(15(2,3)4)22-14(19(9)5)18-23(20,21)12-8-10(16)6-7-11(12)17/h6-8H,17H2,1-5H3/b18-14-
InChIKey
ZDGXKLKXFQIKGA-JXAWBTAJSA-N
Compound name
(NZ)-2-amino-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-5-chlorobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

373.06854 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.07582 188.0
[M+Na]+ 396.05776 198.8
[M-H]- 372.06126 195.4
[M+NH4]+ 391.10236 203.1
[M+K]+ 412.03170 191.7
[M+H-H2O]+ 356.06580 182.1
[M+HCOO]- 418.06674 196.5
[M+CH3COO]- 432.08239 217.9
[M+Na-2H]- 394.04321 187.1
[M]+ 373.06799 194.2
[M]- 373.06909 194.2
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.