CID 4598597

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

Structural Information

Molecular Formula
C19H22N2O3S
SMILES
CCC1=CC=C(C=C1)C2C(=C(N=C3N2C(=O)CCS3)C)C(=O)OCC
InChI
InChI=1S/C19H22N2O3S/c1-4-13-6-8-14(9-7-13)17-16(18(23)24-5-2)12(3)20-19-21(17)15(22)10-11-25-19/h6-9,17H,4-5,10-11H2,1-3H3
InChIKey
RELPQMZRWUWADF-UHFFFAOYSA-N
Compound name
ethyl 6-(4-ethylphenyl)-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

358.1351 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.14238 184.1
[M+Na]+ 381.12432 191.3
[M-H]- 357.12782 188.4
[M+NH4]+ 376.16892 195.8
[M+K]+ 397.09826 186.2
[M+H-H2O]+ 341.13236 175.0
[M+HCOO]- 403.13330 194.4
[M+CH3COO]- 417.14895 215.3
[M+Na-2H]- 379.10977 182.9
[M]+ 358.13455 186.8
[M]- 358.13565 186.8
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.