CID 3236707

Methyl 6-(3-ethoxy-4-propoxyphenyl)-8-methyl-4-oxo-3,4-dihydro-2h,6h-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

Structural Information

Molecular Formula
C21H26N2O5S
SMILES
CCCOC1=C(C=C(C=C1)C2C(=C(N=C3N2C(=O)CCS3)C)C(=O)OC)OCC
InChI
InChI=1S/C21H26N2O5S/c1-5-10-28-15-8-7-14(12-16(15)27-6-2)19-18(20(25)26-4)13(3)22-21-23(19)17(24)9-11-29-21/h7-8,12,19H,5-6,9-11H2,1-4H3
InChIKey
IGLWYENOVKGELZ-UHFFFAOYSA-N
Compound name
methyl 6-(3-ethoxy-4-propoxyphenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

418.15625 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.16353 198.5
[M+Na]+ 441.14547 204.9
[M-H]- 417.14897 202.7
[M+NH4]+ 436.19007 207.7
[M+K]+ 457.11941 201.0
[M+H-H2O]+ 401.15351 188.9
[M+HCOO]- 463.15445 208.4
[M+CH3COO]- 477.17010 226.8
[M+Na-2H]- 439.13092 196.2
[M]+ 418.15570 205.1
[M]- 418.15680 205.1
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.