CID 9568047

Brn 0860567

Structural Information

Molecular Formula
C12H14N6O4S2
SMILES
CN1C(=CN=C1C2=NC(=CS2)/C=N/N3CCS(=O)(=O)CC3)[N+](=O)[O-]
InChI
InChI=1S/C12H14N6O4S2/c1-16-10(18(19)20)7-13-11(16)12-15-9(8-23-12)6-14-17-2-4-24(21,22)5-3-17/h6-8H,2-5H2,1H3/b14-6+
InChIKey
ZVWZZBJPBIOLCD-MKMNVTDBSA-N
Compound name
(E)-N-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[2-(1-methyl-5-nitroimidazol-2-yl)-1,3-thiazol-4-yl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

370.0518 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.05908 177.0
[M+Na]+ 393.04102 186.2
[M-H]- 369.04452 184.4
[M+NH4]+ 388.08562 189.6
[M+K]+ 409.01496 177.5
[M+H-H2O]+ 353.04906 173.8
[M+HCOO]- 415.05000 191.0
[M+CH3COO]- 429.06565 205.7
[M+Na-2H]- 391.02647 180.2
[M]+ 370.05125 178.0
[M]- 370.05235 178.0
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.