CID 15955471

Nsc740556

Structural Information

Molecular Formula
C18H14N6O3S
SMILES
C1=CC=C(C=C1)N2C3=CC=CC=C3S(=O)(=O)N=C2NNC(=O)C4=NC=CN=C4
InChI
InChI=1S/C18H14N6O3S/c25-17(14-12-19-10-11-20-14)21-22-18-23-28(26,27)16-9-5-4-8-15(16)24(18)13-6-2-1-3-7-13/h1-12H,(H,21,25)(H,22,23)
InChIKey
GEHWMIULYSRRCG-UHFFFAOYSA-N
Compound name
N'-(1,1-dioxo-4-phenyl-1lambda6,2,4-benzothiadiazin-3-yl)pyrazine-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

394.0848 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.09208 187.3
[M+Na]+ 417.07402 196.4
[M-H]- 393.07752 192.9
[M+NH4]+ 412.11862 195.2
[M+K]+ 433.04796 189.4
[M+H-H2O]+ 377.08206 175.9
[M+HCOO]- 439.08300 201.8
[M+CH3COO]- 453.09865 195.9
[M+Na-2H]- 415.05947 195.9
[M]+ 394.08425 188.1
[M]- 394.08535 188.1
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.