CID 3043806

Jdl 195

Structural Information

Molecular Formula
C14H11Cl2N3O2S
SMILES
CCC1=NS(=O)(=O)C2=C(N1C3=CC(=CC(=C3)Cl)Cl)C=CN=C2
InChI
InChI=1S/C14H11Cl2N3O2S/c1-2-14-18-22(20,21)13-8-17-4-3-12(13)19(14)11-6-9(15)5-10(16)7-11/h3-8H,2H2,1H3
InChIKey
XDBSDUCYNWUYHL-UHFFFAOYSA-N
Compound name
4-(3,5-dichlorophenyl)-3-ethylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.9949 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.00218 170.0
[M+Na]+ 377.98412 183.6
[M-H]- 353.98762 174.0
[M+NH4]+ 373.02872 184.3
[M+K]+ 393.95806 176.3
[M+H-H2O]+ 337.99216 162.5
[M+HCOO]- 399.99310 174.8
[M+CH3COO]- 414.00875 181.2
[M+Na-2H]- 375.96957 174.2
[M]+ 354.99435 176.7
[M]- 354.99545 176.8
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.