CID 3043805

Jdl 199

Structural Information

Molecular Formula
C14H11Cl2N3O2S
SMILES
CCC1=NS(=O)(=O)C2=C(N1C3=CC(=C(C=C3)Cl)Cl)C=CN=C2
InChI
InChI=1S/C14H11Cl2N3O2S/c1-2-14-18-22(20,21)13-8-17-6-5-12(13)19(14)9-3-4-10(15)11(16)7-9/h3-8H,2H2,1H3
InChIKey
OOOFLCQHGNGJHR-UHFFFAOYSA-N
Compound name
4-(3,4-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 175.3
[M+Na]+ 377.98412 193.3
[M+NH4]+ 373.02872 184.9
[M+K]+ 393.95806 180.5
[M-H]- 353.98762 178.6
[M+Na-2H]- 375.96957 184.5
[M]+ 354.99435 180.2
[M]- 354.99545 180.2
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.