CID 15955464

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

Structural Information

Molecular Formula
C13H11ClN6O3S
SMILES
CN1C2=C(C=CC(=C2)Cl)S(=O)(=O)N=C1NNC(=O)C3=NC=CN=C3
InChI
InChI=1S/C13H11ClN6O3S/c1-20-10-6-8(14)2-3-11(10)24(22,23)19-13(20)18-17-12(21)9-7-15-4-5-16-9/h2-7H,1H3,(H,17,21)(H,18,19)
InChIKey
ATVURWZFAINGBV-UHFFFAOYSA-N
Compound name
N'-(6-chloro-4-methyl-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

366.03018 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.03746 175.4
[M+Na]+ 389.01940 186.6
[M-H]- 365.02290 178.6
[M+NH4]+ 384.06400 186.3
[M+K]+ 404.99334 180.4
[M+H-H2O]+ 349.02744 166.8
[M+HCOO]- 411.02838 185.7
[M+CH3COO]- 425.04403 185.3
[M+Na-2H]- 387.00485 182.7
[M]+ 366.02963 179.7
[M]- 366.03073 179.7
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.