CID 3074407

157023-86-4

Structural Information

Molecular Formula
C16H18N4O4S
SMILES
C1COCCN1CCN2C(=O)C3=C(C=N2)NC4=CC=CC=C4S3(=O)=O
InChI
InChI=1S/C16H18N4O4S/c21-16-15-13(18-12-3-1-2-4-14(12)25(15,22)23)11-17-20(16)6-5-19-7-9-24-10-8-19/h1-4,11,18H,5-10H2
InChIKey
QAMUVMANXOTQET-UHFFFAOYSA-N
Compound name
3-(2-morpholin-4-ylethyl)-5,5-dioxo-10H-pyridazino[4,5-b][1,4]benzothiazin-4-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 180.4
[M+Na]+ 385.09412 189.6
[M-H]- 361.09762 182.2
[M+NH4]+ 380.13872 189.6
[M+K]+ 401.06806 184.4
[M+H-H2O]+ 345.10216 170.2
[M+HCOO]- 407.10310 186.6
[M+CH3COO]- 421.11875 188.6
[M+Na-2H]- 383.07957 185.8
[M]+ 362.10435 180.6
[M]- 362.10545 180.6
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.