CID 9587898

Brn 1043595

Structural Information

Molecular Formula
C12H12N4O4S3
SMILES
C1CS(=O)(=O)CCN1/N=C/C2=CSC(=N2)C3=CC=C(S3)[N+](=O)[O-]
InChI
InChI=1S/C12H12N4O4S3/c17-16(18)11-2-1-10(22-11)12-14-9(8-21-12)7-13-15-3-5-23(19,20)6-4-15/h1-2,7-8H,3-6H2/b13-7+
InChIKey
YKYHBISWTKOUBO-NTUHNPAUSA-N
Compound name
(E)-N-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[2-(5-nitrothiophen-2-yl)-1,3-thiazol-4-yl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.00208 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.00936 172.0
[M+Na]+ 394.99130 181.4
[M+NH4]+ 390.03590 179.9
[M+K]+ 410.96524 175.1
[M-H]- 370.99480 176.5
[M+Na-2H]- 392.97675 178.8
[M]+ 372.00153 175.6
[M]- 372.00263 175.6
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.