CID 3043804

Jdl 158

Structural Information

Molecular Formula
C14H12ClN3O2S
SMILES
CC1=C(C=CC=C1Cl)N2C(=NS(=O)(=O)C3=C2C=CN=C3)C
InChI
InChI=1S/C14H12ClN3O2S/c1-9-11(15)4-3-5-12(9)18-10(2)17-21(19,20)14-8-16-7-6-13(14)18/h3-8H,1-2H3
InChIKey
PSDYDROQZBTFAT-UHFFFAOYSA-N
Compound name
4-(3-chloro-2-methylphenyl)-3-methylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.03387 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.04115 169.1
[M+Na]+ 344.02309 186.8
[M+NH4]+ 339.06769 178.8
[M+K]+ 359.99703 174.6
[M-H]- 320.02659 172.7
[M+Na-2H]- 342.00854 178.6
[M]+ 321.03332 173.8
[M]- 321.03442 173.8
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.