CID 506481

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

Structural Information

Molecular Formula
C13H13N3O3S
SMILES
CCOCN1C2=C(C(=O)NC1=O)NC3=CC=CC=C3S2
InChI
InChI=1S/C13H13N3O3S/c1-2-19-7-16-12-10(11(17)15-13(16)18)14-8-5-3-4-6-9(8)20-12/h3-6,14H,2,7H2,1H3,(H,15,17,18)
InChIKey
FWDVCPSTXTVRAL-UHFFFAOYSA-N
Compound name
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

291.06775 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.07503 161.7
[M+Na]+ 314.05697 172.3
[M-H]- 290.06047 160.8
[M+NH4]+ 309.10157 174.8
[M+K]+ 330.03091 165.6
[M+H-H2O]+ 274.06501 154.2
[M+HCOO]- 336.06595 172.1
[M+CH3COO]- 350.08160 171.8
[M+Na-2H]- 312.04242 167.1
[M]+ 291.06720 163.9
[M]- 291.06830 163.9
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.