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]+ 387.137316 190.6
[M+Na]+ 409.119258 196.6
[M-H]- 385.122764 194.3
[M+NH4]+ 404.163863 200.7
[M+K]+ 425.093198 191.4
[M+H-H2O]+ 369.127300 181.0
[M+HCOO]- 431.128241 201.0
[M+CH3COO]- 445.143891 217.8
[M+Na-2H]- 407.104706 189.8
[M]+ 386.12949142 193.8
[M]- 386.13058858 193.8
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.