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]+ 419.163526 198.5
[M+Na]+ 441.145468 204.9
[M-H]- 417.148974 202.7
[M+NH4]+ 436.190073 207.7
[M+K]+ 457.119408 201.0
[M+H-H2O]+ 401.153510 188.9
[M+HCOO]- 463.154451 208.4
[M+CH3COO]- 477.170101 226.8
[M+Na-2H]- 439.130916 196.2
[M]+ 418.15570142 205.1
[M]- 418.15679858 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.