CID 506483

8-chloro-1-(ethoxymethyl)-5h-pyrimido[4,5-b][1,4]benzothiazine-2,4-dione

Structural Information

Molecular Formula
C13H12ClN3O3S
SMILES
CCOCN1C2=C(C(=O)NC1=O)NC3=C(S2)C=C(C=C3)Cl
InChI
InChI=1S/C13H12ClN3O3S/c1-2-20-6-17-12-10(11(18)16-13(17)19)15-8-4-3-7(14)5-9(8)21-12/h3-5,15H,2,6H2,1H3,(H,16,18,19)
InChIKey
BZYIJASVNXEUTK-UHFFFAOYSA-N
Compound name
8-chloro-1-(ethoxymethyl)-5H-pyrimido[4,5-b][1,4]benzothiazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.02878 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.03606 166.2
[M+Na]+ 348.01800 178.2
[M-H]- 324.02150 165.6
[M+NH4]+ 343.06260 179.1
[M+K]+ 363.99194 170.5
[M+H-H2O]+ 308.02604 159.7
[M+HCOO]- 370.02698 172.0
[M+CH3COO]- 384.04263 176.3
[M+Na-2H]- 346.00345 170.6
[M]+ 325.02823 170.7
[M]- 325.02933 170.7
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.