CID 9567737

Bdbm5046

Structural Information

Molecular Formula
C16H20ClN3O3S2
SMILES
CC1=C(S/C(=N\S(=O)(=O)C2=C(C=CC(=C2)Cl)C(=O)N)/N1C)C(C)(C)C
InChI
InChI=1S/C16H20ClN3O3S2/c1-9-13(16(2,3)4)24-15(20(9)5)19-25(22,23)12-8-10(17)6-7-11(12)14(18)21/h6-8H,1-5H3,(H2,18,21)/b19-15-
InChIKey
AHXOBRMGLFKLSZ-CYVLTUHYSA-N
Compound name
2-[(Z)-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)amino]sulfonyl-4-chlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

401.06348 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.07076 193.8
[M+Na]+ 424.05270 203.7
[M-H]- 400.05620 201.1
[M+NH4]+ 419.09730 207.4
[M+K]+ 440.02664 197.0
[M+H-H2O]+ 384.06074 187.9
[M+HCOO]- 446.06168 201.5
[M+CH3COO]- 460.07733 223.0
[M+Na-2H]- 422.03815 192.3
[M]+ 401.06293 200.6
[M]- 401.06403 200.6
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.