CID 15955472

Nsc740557

Structural Information

Molecular Formula
C14H10Cl2N4O3S
SMILES
CN1C2=C(C=C(C=C2)Cl)S(=O)(=O)N=C1NC(=O)C3=CN=C(C=C3)Cl
InChI
InChI=1S/C14H10Cl2N4O3S/c1-20-10-4-3-9(15)6-11(10)24(22,23)19-14(20)18-13(21)8-2-5-12(16)17-7-8/h2-7H,1H3,(H,18,19,21)
InChIKey
PWFVMDAUMCXIRF-UHFFFAOYSA-N
Compound name
6-chloro-N-(7-chloro-4-methyl-1,1-dioxo-1lambda6,2,4-benzothiadiazin-3-yl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

383.98508 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.99236 175.5
[M+Na]+ 406.97430 187.9
[M-H]- 382.97780 179.7
[M+NH4]+ 402.01890 188.2
[M+K]+ 422.94824 181.3
[M+H-H2O]+ 366.98234 168.4
[M+HCOO]- 428.98328 180.8
[M+CH3COO]- 442.99893 185.9
[M+Na-2H]- 404.95975 180.0
[M]+ 383.98453 181.9
[M]- 383.98563 181.9
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.