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 166.5
[M+Na]+ 344.02309 180.1
[M-H]- 320.02659 171.3
[M+NH4]+ 339.06769 181.8
[M+K]+ 359.99703 173.4
[M+H-H2O]+ 304.03113 158.5
[M+HCOO]- 366.03207 176.4
[M+CH3COO]- 380.04772 178.5
[M+Na-2H]- 342.00854 171.3
[M]+ 321.03332 172.4
[M]- 321.03442 172.4
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.