CID 15955466

4-pyridinecarboxylic acid, 2-(4-ethyl-1,1-dioxido-4h-1,2,4-benzothiadiazin-3-yl)hydrazide

Structural Information

Molecular Formula
C15H15N5O3S
SMILES
CCN1C2=CC=CC=C2S(=O)(=O)N=C1NNC(=O)C3=CC=NC=C3
InChI
InChI=1S/C15H15N5O3S/c1-2-20-12-5-3-4-6-13(12)24(22,23)19-15(20)18-17-14(21)11-7-9-16-10-8-11/h3-10H,2H2,1H3,(H,17,21)(H,18,19)
InChIKey
XTHAWGYPETWOIV-UHFFFAOYSA-N
Compound name
N'-(4-ethyl-1,1-dioxo-1lambda6,2,4-benzothiadiazin-3-yl)pyridine-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.08957 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.09685 175.2
[M+Na]+ 368.07879 184.2
[M-H]- 344.08229 179.1
[M+NH4]+ 363.12339 187.2
[M+K]+ 384.05273 178.8
[M+H-H2O]+ 328.08683 165.9
[M+HCOO]- 390.08777 190.7
[M+CH3COO]- 404.10342 185.1
[M+Na-2H]- 366.06424 182.4
[M]+ 345.08902 177.2
[M]- 345.09012 177.2
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.