CID 6509784

Bdbm5026

Structural Information

Molecular Formula
C15H19N3O4S2
SMILES
CC1=C(S/C(=N\S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])/N1C)C(C)(C)C
InChI
InChI=1S/C15H19N3O4S2/c1-10-13(15(2,3)4)23-14(17(10)5)16-24(21,22)12-8-6-7-11(9-12)18(19)20/h6-9H,1-5H3/b16-14-
InChIKey
DVJYFYQACAKCOT-PEZBUJJGSA-N
Compound name
(NZ)-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

369.0817 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.08898 185.0
[M+Na]+ 392.07092 192.8
[M-H]- 368.07442 192.4
[M+NH4]+ 387.11552 198.2
[M+K]+ 408.04486 183.7
[M+H-H2O]+ 352.07896 182.2
[M+HCOO]- 414.07990 198.7
[M+CH3COO]- 428.09555 209.6
[M+Na-2H]- 390.05637 189.1
[M]+ 369.08115 187.9
[M]- 369.08225 187.9
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.