CID 5769061

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

Structural Information

Molecular Formula
C20H22N2O4S
SMILES
CC1=C(C(N2C(=O)CCSC2=N1)/C=C/C3=CC=CC=C3)C(=O)OCCOC
InChI
InChI=1S/C20H22N2O4S/c1-14-18(19(24)26-12-11-25-2)16(9-8-15-6-4-3-5-7-15)22-17(23)10-13-27-20(22)21-14/h3-9,16H,10-13H2,1-2H3/b9-8+
InChIKey
YJTIBKAOZXCIGQ-CMDGGOBGSA-N
Compound name
2-methoxyethyl 8-methyl-4-oxo-6-[(E)-2-phenylethenyl]-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

386.13004 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.13732 190.6
[M+Na]+ 409.11926 202.8
[M+NH4]+ 404.16386 196.7
[M+K]+ 425.09320 193.7
[M-H]- 385.12276 192.9
[M+Na-2H]- 407.10471 194.9
[M]+ 386.12949 193.3
[M]- 386.13059 193.3
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.