CID 3153543

Allyl 8-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2h,6h-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

Structural Information

Molecular Formula
C21H24N2O6S
SMILES
CC1=C(C(N2C(=O)CCSC2=N1)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OCC=C
InChI
InChI=1S/C21H24N2O6S/c1-6-8-29-20(25)17-12(2)22-21-23(16(24)7-9-30-21)18(17)13-10-14(26-3)19(28-5)15(11-13)27-4/h6,10-11,18H,1,7-9H2,2-5H3
InChIKey
IHFDCWTVLUFLLW-UHFFFAOYSA-N
Compound name
prop-2-enyl 8-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-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

432.1355 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.14278 200.1
[M+Na]+ 455.12472 207.2
[M-H]- 431.12822 204.6
[M+NH4]+ 450.16932 208.7
[M+K]+ 471.09866 203.5
[M+H-H2O]+ 415.13276 190.6
[M+HCOO]- 477.13370 210.3
[M+CH3COO]- 491.14935 229.7
[M+Na-2H]- 453.11017 197.5
[M]+ 432.13495 207.8
[M]- 432.13605 207.8
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.