CID 506482

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

Structural Information

Molecular Formula
C14H15N3O3S
SMILES
CCOCN1C2=C(C(=O)NC1=O)NC3=C(S2)C=C(C=C3)C
InChI
InChI=1S/C14H15N3O3S/c1-3-20-7-17-13-11(12(18)16-14(17)19)15-9-5-4-8(2)6-10(9)21-13/h4-6,15H,3,7H2,1-2H3,(H,16,18,19)
InChIKey
XDMYLUIIZRZXPZ-UHFFFAOYSA-N
Compound name
1-(ethoxymethyl)-8-methyl-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

305.0834 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.09068 166.8
[M+Na]+ 328.07262 177.8
[M-H]- 304.07612 166.1
[M+NH4]+ 323.11722 179.6
[M+K]+ 344.04656 170.9
[M+H-H2O]+ 288.08066 159.3
[M+HCOO]- 350.08160 176.8
[M+CH3COO]- 364.09725 176.8
[M+Na-2H]- 326.05807 171.0
[M]+ 305.08285 169.7
[M]- 305.08395 169.7
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.