CID 378495

Nsc661095

Structural Information

Molecular Formula
C10H10ClN3O4S2
SMILES
CNNC1=NS(=O)(=O)C2=C(S1)C=C(C(=C2)C(=O)OC)Cl
InChI
InChI=1S/C10H10ClN3O4S2/c1-12-13-10-14-20(16,17)8-3-5(9(15)18-2)6(11)4-7(8)19-10/h3-4,12H,1-2H3,(H,13,14)
InChIKey
LOFUNGISFCXQDP-UHFFFAOYSA-N
Compound name
methyl 6-chloro-3-(2-methylhydrazinyl)-1,1-dioxo-1lambda6,4,2-benzodithiazine-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.98013 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.98741 161.0
[M+Na]+ 357.96935 170.8
[M-H]- 333.97285 164.2
[M+NH4]+ 353.01395 177.5
[M+K]+ 373.94329 165.4
[M+H-H2O]+ 317.97739 156.6
[M+HCOO]- 379.97833 169.0
[M+CH3COO]- 393.99398 206.6
[M+Na-2H]- 355.95480 166.5
[M]+ 334.97958 167.5
[M]- 334.98068 167.5
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.