CID 6509785

Bdbm5048

Structural Information

Molecular Formula
C15H16ClN3O2S2
SMILES
CC1=C(S/C(=N\S(=O)(=O)C2=C(C=CC(=C2)Cl)C#N)/N1C)C(C)C
InChI
InChI=1S/C15H16ClN3O2S2/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
KNILSOKXXYKGCE-SDXDJHTJSA-N
Compound name
(NZ)-5-chloro-2-cyano-N-(3,4-dimethyl-5-propan-2-yl-1,3-thiazol-2-ylidene)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

369.03726 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.04454 196.1
[M+Na]+ 392.02648 209.1
[M-H]- 368.02998 203.5
[M+NH4]+ 387.07108 210.2
[M+K]+ 408.00042 202.8
[M+H-H2O]+ 352.03452 183.6
[M+HCOO]- 414.03546 202.1
[M+CH3COO]- 428.05111 224.2
[M+Na-2H]- 390.01193 192.7
[M]+ 369.03671 198.2
[M]- 369.03781 198.2
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.