CID 11595146

N'-(4-methyl-1,1-dioxo-1$l^{6},2,4-benzothiadiazin-3-yl)pyrazine-2-carbohydrazide

Structural Information

Molecular Formula
C13H12N6O3S
SMILES
CN1C2=CC=CC=C2S(=O)(=O)N=C1NNC(=O)C3=NC=CN=C3
InChI
InChI=1S/C13H12N6O3S/c1-19-10-4-2-3-5-11(10)23(21,22)18-13(19)17-16-12(20)9-8-14-6-7-15-9/h2-8H,1H3,(H,16,20)(H,17,18)
InChIKey
AQHIFRKOEJEDDX-UHFFFAOYSA-N
Compound name
N'-(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

332.06915 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.07643 171.1
[M+Na]+ 355.05837 181.2
[M-H]- 331.06187 174.1
[M+NH4]+ 350.10297 182.3
[M+K]+ 371.03231 175.8
[M+H-H2O]+ 315.06641 161.7
[M+HCOO]- 377.06735 186.0
[M+CH3COO]- 391.08300 181.1
[M+Na-2H]- 353.04382 179.4
[M]+ 332.06860 173.0
[M]- 332.06970 173.0
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.