CID 9567691

Bdbm5114

Structural Information

Molecular Formula
C13H15N3O4S2
SMILES
CC(C)C1=CN(/C(=N/S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])/S1)C
InChI
InChI=1S/C13H15N3O4S2/c1-9(2)12-8-15(3)13(21-12)14-22(19,20)11-6-4-5-10(7-11)16(17)18/h4-9H,1-3H3/b14-13-
InChIKey
SBGKKUJHZCNXNE-YPKPFQOOSA-N
Compound name
(NZ)-N-(3-methyl-5-propan-2-yl-1,3-thiazol-2-ylidene)-3-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

341.05038 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.05766 175.6
[M+Na]+ 364.03960 183.0
[M-H]- 340.04310 182.8
[M+NH4]+ 359.08420 189.5
[M+K]+ 380.01354 174.2
[M+H-H2O]+ 324.04764 172.5
[M+HCOO]- 386.04858 190.4
[M+CH3COO]- 400.06423 203.6
[M+Na-2H]- 362.02505 178.5
[M]+ 341.04983 177.6
[M]- 341.05093 177.6
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.