CID 15955462

3-pyridinecarboxylic acid, 6-chloro-, 2-(4-methyl-1,1-dioxido-4h-1,2,4-benzothiadiazin-3-yl)hydrazide

Structural Information

Molecular Formula
C14H12ClN5O3S
SMILES
CN1C2=CC=CC=C2S(=O)(=O)N=C1NNC(=O)C3=CN=C(C=C3)Cl
InChI
InChI=1S/C14H12ClN5O3S/c1-20-10-4-2-3-5-11(10)24(22,23)19-14(20)18-17-13(21)9-6-7-12(15)16-8-9/h2-8H,1H3,(H,17,21)(H,18,19)
InChIKey
JQZWTSBWBFQHIE-UHFFFAOYSA-N
Compound name
6-chloro-N'-(4-methyl-1,1-dioxo-1lambda6,2,4-benzothiadiazin-3-yl)pyridine-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.03494 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.04222 175.7
[M+Na]+ 388.02416 186.6
[M-H]- 364.02766 180.1
[M+NH4]+ 383.06876 188.2
[M+K]+ 403.99810 180.4
[M+H-H2O]+ 348.03220 167.7
[M+HCOO]- 410.03314 187.1
[M+CH3COO]- 424.04879 186.1
[M+Na-2H]- 386.00961 182.5
[M]+ 365.03439 180.0
[M]- 365.03549 180.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.