CID 3861285

2-methoxyethyl 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
C23H30N2O6S
SMILES
CCCOC1=C(C=C(C=C1)C2C(=C(N=C3N2C(=O)CCS3)C)C(=O)OCCOC)OCC
InChI
InChI=1S/C23H30N2O6S/c1-5-10-30-17-8-7-16(14-18(17)29-6-2)21-20(22(27)31-12-11-28-4)15(3)24-23-25(21)19(26)9-13-32-23/h7-8,14,21H,5-6,9-13H2,1-4H3
InChIKey
PBNKTCHXHACOHL-UHFFFAOYSA-N
Compound name
2-methoxyethyl 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

462.18246 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.18974 209.5
[M+Na]+ 485.17168 214.6
[M-H]- 461.17518 213.1
[M+NH4]+ 480.21628 216.6
[M+K]+ 501.14562 211.0
[M+H-H2O]+ 445.17972 199.3
[M+HCOO]- 507.18066 218.8
[M+CH3COO]- 521.19631 234.7
[M+Na-2H]- 483.15713 206.6
[M]+ 462.18191 218.0
[M]- 462.18301 218.0
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.