CID 15955473

2-pyrazinecarboxamide, n-(7-chloro-4-methyl-1,1-dioxido-4h-1,2,4-benzothiadiazin-3-yl)-

Structural Information

Molecular Formula
C13H10ClN5O3S
SMILES
CN1C2=C(C=C(C=C2)Cl)S(=O)(=O)N=C1NC(=O)C3=NC=CN=C3
InChI
InChI=1S/C13H10ClN5O3S/c1-19-10-3-2-8(14)6-11(10)23(21,22)18-13(19)17-12(20)9-7-15-4-5-16-9/h2-7H,1H3,(H,17,18,20)
InChIKey
ORKWWICEKCPFSQ-UHFFFAOYSA-N
Compound name
N-(7-chloro-4-methyl-1,1-dioxo-1lambda6,2,4-benzothiadiazin-3-yl)pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

351.0193 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.02658 172.0
[M+Na]+ 374.00852 184.1
[M-H]- 350.01202 175.3
[M+NH4]+ 369.05312 183.9
[M+K]+ 389.98246 177.9
[M+H-H2O]+ 334.01656 163.5
[M+HCOO]- 396.01750 181.3
[M+CH3COO]- 410.03315 182.5
[M+Na-2H]- 371.99397 178.3
[M]+ 351.01875 177.0
[M]- 351.01985 177.0
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.