CID 9567720

Bdbm5028

Structural Information

Molecular Formula
C15H19ClN2O2S2
SMILES
CC1=C(S/C(=N\S(=O)(=O)C2=CC=CC=C2Cl)/N1C)C(C)(C)C
InChI
InChI=1S/C15H19ClN2O2S2/c1-10-13(15(2,3)4)21-14(18(10)5)17-22(19,20)12-9-7-6-8-11(12)16/h6-9H,1-5H3/b17-14-
InChIKey
YQCFLWOKLAPQTR-VKAVYKQESA-N
Compound name
(NZ)-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-2-chlorobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.05765 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.06493 183.5
[M+Na]+ 381.04687 194.9
[M-H]- 357.05037 191.5
[M+NH4]+ 376.09147 199.8
[M+K]+ 397.02081 188.3
[M+H-H2O]+ 341.05491 177.8
[M+HCOO]- 403.05585 192.1
[M+CH3COO]- 417.07150 212.3
[M+Na-2H]- 379.03232 183.3
[M]+ 358.05710 191.3
[M]- 358.05820 191.3
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.