CID 9568685

Nsc 304378

Structural Information

Molecular Formula
C12H12N4O5S2
SMILES
C1CS(=O)(=O)CCN1/N=C/C2=CSC(=N2)C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C12H12N4O5S2/c17-16(18)11-2-1-10(21-11)12-14-9(8-22-12)7-13-15-3-5-23(19,20)6-4-15/h1-2,7-8H,3-6H2/b13-7+
InChIKey
ZSYSVYKAYJMBOF-NTUHNPAUSA-N
Compound name
(E)-N-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[2-(5-nitrofuran-2-yl)-1,3-thiazol-4-yl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

356.0249 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.03218 174.9
[M+Na]+ 379.01412 183.2
[M-H]- 355.01762 184.9
[M+NH4]+ 374.05872 189.1
[M+K]+ 394.98806 176.1
[M+H-H2O]+ 339.02216 172.8
[M+HCOO]- 401.02310 190.9
[M+CH3COO]- 415.03875 201.4
[M+Na-2H]- 376.99957 179.2
[M]+ 356.02435 176.5
[M]- 356.02545 176.5
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.