CID 3431078

Isobutyl 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
C24H32N2O5S
SMILES
CCCOC1=C(C=C(C=C1)C2C(=C(N=C3N2C(=O)CCS3)C)C(=O)OCC(C)C)OCC
InChI
InChI=1S/C24H32N2O5S/c1-6-11-30-18-9-8-17(13-19(18)29-7-2)22-21(23(28)31-14-15(3)4)16(5)25-24-26(22)20(27)10-12-32-24/h8-9,13,15,22H,6-7,10-12,14H2,1-5H3
InChIKey
GGQKOTZGTYQXRI-UHFFFAOYSA-N
Compound name
2-methylpropyl 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

0
References

0
Patents

460.2032 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.21048 211.1
[M+Na]+ 483.19242 222.1
[M+NH4]+ 478.23702 216.0
[M+K]+ 499.16636 214.1
[M-H]- 459.19592 212.8
[M+Na-2H]- 481.17787 213.4
[M]+ 460.20265 213.4
[M]- 460.20375 213.4
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.