CID 9567740

Bdbm5050

Structural Information

Molecular Formula
C15H16BrN3O2S2
SMILES
CC1=C(S/C(=N\S(=O)(=O)C2=C(C=CC(=C2)Br)C#N)/N1C)C(C)C
InChI
InChI=1S/C15H16BrN3O2S2/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
RSSUIFHWIWSHIZ-SDXDJHTJSA-N
Compound name
(NZ)-5-bromo-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

412.98672 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.99400 180.8
[M+Na]+ 435.97594 196.5
[M-H]- 411.97944 189.0
[M+NH4]+ 431.02054 196.1
[M+K]+ 451.94988 183.3
[M+H-H2O]+ 395.98398 173.2
[M+HCOO]- 457.98492 191.6
[M+CH3COO]- 472.00057 227.7
[M+Na-2H]- 433.96139 180.8
[M]+ 412.98617 197.7
[M]- 412.98727 197.7
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.