CID 9567739

Bdbm5049

Structural Information

Molecular Formula
C15H16FN3O2S2
SMILES
CC1=C(S/C(=N\S(=O)(=O)C2=C(C=CC(=C2)F)C#N)/N1C)C(C)C
InChI
InChI=1S/C15H16FN3O2S2/c1-9(2)14-10(3)19(4)15(22-14)18-23(20,21)13-7-12(16)6-5-11(13)8-17/h5-7,9H,1-4H3/b18-15-
InChIKey
FWOURNKQUQKHKW-SDXDJHTJSA-N
Compound name
(NZ)-2-cyano-N-(3,4-dimethyl-5-propan-2-yl-1,3-thiazol-2-ylidene)-5-fluorobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

353.0668 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.07408 189.2
[M+Na]+ 376.05602 201.5
[M-H]- 352.05952 195.0
[M+NH4]+ 371.10062 202.9
[M+K]+ 392.02996 196.3
[M+H-H2O]+ 336.06406 175.0
[M+HCOO]- 398.06500 198.3
[M+CH3COO]- 412.08065 223.5
[M+Na-2H]- 374.04147 185.9
[M]+ 353.06625 188.8
[M]- 353.06735 188.8
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.