CID 15955474

3-pyridinecarboxamide, 6-chloro-n-(1,1-dioxido-4-phenyl-4h-1,2,4-benzothiadiazin-3-yl)-

Structural Information

Molecular Formula
C19H13ClN4O3S
SMILES
C1=CC=C(C=C1)N2C3=CC=CC=C3S(=O)(=O)N=C2NC(=O)C4=CN=C(C=C4)Cl
InChI
InChI=1S/C19H13ClN4O3S/c20-17-11-10-13(12-21-17)18(25)22-19-23-28(26,27)16-9-5-4-8-15(16)24(19)14-6-2-1-3-7-14/h1-12H,(H,22,23,25)
InChIKey
SJQYIKNKKSYOQU-UHFFFAOYSA-N
Compound name
6-chloro-N-(1,1-dioxo-4-phenyl-1lambda6,2,4-benzothiadiazin-3-yl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

412.0397 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.04698 190.1
[M+Na]+ 435.02892 200.9
[M-H]- 411.03242 197.2
[M+NH4]+ 430.07352 200.1
[M+K]+ 451.00286 193.4
[M+H-H2O]+ 395.03696 179.9
[M+HCOO]- 457.03790 200.0
[M+CH3COO]- 471.05355 199.5
[M+Na-2H]- 433.01437 195.9
[M]+ 412.03915 194.2
[M]- 412.04025 194.2
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.