CID 3079881

126598-44-5

Structural Information

Molecular Formula
C16H18N4O4S
SMILES
C1COCCN1CCN2C(=O)C3=C(C=N2)S(=O)(=O)C4=CC=CC=C4N3
InChI
InChI=1S/C16H18N4O4S/c21-16-15-14(25(22,23)13-4-2-1-3-12(13)18-15)11-17-20(16)6-5-19-7-9-24-10-8-19/h1-4,11,18H,5-10H2
InChIKey
CPNGYFJHLVKIOL-UHFFFAOYSA-N
Compound name
2-(2-morpholin-4-ylethyl)-5,5-dioxo-10H-pyridazino[4,5-b][1,4]benzothiazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.1049 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.11218 181.2
[M+Na]+ 385.09412 195.1
[M+NH4]+ 380.13872 188.5
[M+K]+ 401.06806 185.1
[M-H]- 361.09762 183.9
[M+Na-2H]- 383.07957 186.6
[M]+ 362.10435 184.4
[M]- 362.10545 184.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.