CID 4680176

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

Structural Information

Molecular Formula
C27H30N2O5S
SMILES
CC1=C(C(N2C(=O)CCSC2=N1)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C(=O)OCC(C)C
InChI
InChI=1S/C27H30N2O5S/c1-17(2)15-34-26(31)24-18(3)28-27-29(23(30)12-13-35-27)25(24)20-10-11-21(22(14-20)32-4)33-16-19-8-6-5-7-9-19/h5-11,14,17,25H,12-13,15-16H2,1-4H3
InChIKey
RUYISEOBLQPXRO-UHFFFAOYSA-N
Compound name
2-methylpropyl 6-(3-methoxy-4-phenylmethoxyphenyl)-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

3
References

0
Patents

494.18753 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.19481 217.6
[M+Na]+ 517.17675 231.0
[M+NH4]+ 512.22135 223.2
[M+K]+ 533.15069 221.9
[M-H]- 493.18025 222.2
[M+Na-2H]- 515.16220 223.4
[M]+ 494.18698 221.3
[M]- 494.18808 221.3
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.