CID 15955467

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

Structural Information

Molecular Formula
C14H14N6O3S
SMILES
CCN1C2=CC=CC=C2S(=O)(=O)N=C1NNC(=O)C3=NC=CN=C3
InChI
InChI=1S/C14H14N6O3S/c1-2-20-11-5-3-4-6-12(11)24(22,23)19-14(20)18-17-13(21)10-9-15-7-8-16-10/h3-9H,2H2,1H3,(H,17,21)(H,18,19)
InChIKey
JURDLRNBSAAIDM-UHFFFAOYSA-N
Compound name
N'-(4-ethyl-1,1-dioxo-1lambda6,2,4-benzothiadiazin-3-yl)pyrazine-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.0848 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.09208 175.1
[M+Na]+ 369.07402 184.7
[M-H]- 345.07752 177.9
[M+NH4]+ 364.11862 185.7
[M+K]+ 385.04796 179.1
[M+H-H2O]+ 329.08206 165.5
[M+HCOO]- 391.08300 189.7
[M+CH3COO]- 405.09865 184.7
[M+Na-2H]- 367.05947 183.0
[M]+ 346.08425 177.3
[M]- 346.08535 177.3
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.