CID 9567730

Bdbm5039

Structural Information

Molecular Formula
C15H18ClN3O4S2
SMILES
CC1=C(S/C(=N\S(=O)(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-])/N1C)C(C)(C)C
InChI
InChI=1S/C15H18ClN3O4S2/c1-9-13(15(2,3)4)24-14(18(9)5)17-25(22,23)12-8-10(16)6-7-11(12)19(20)21/h6-8H,1-5H3/b17-14-
InChIKey
SLVTZQNLJHWHMX-VKAVYKQESA-N
Compound name
(NZ)-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-5-chloro-2-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

403.04272 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.05000 192.6
[M+Na]+ 426.03194 201.2
[M-H]- 402.03544 200.2
[M+NH4]+ 421.07654 205.4
[M+K]+ 442.00588 191.0
[M+H-H2O]+ 386.03998 190.9
[M+HCOO]- 448.04092 201.6
[M+CH3COO]- 462.05657 214.3
[M+Na-2H]- 424.01739 195.6
[M]+ 403.04217 197.7
[M]- 403.04327 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.