CID 5013978

Allyl 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
C26H26N2O5S
SMILES
CC1=C(C(N2C(=O)CCSC2=N1)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C(=O)OCC=C
InChI
InChI=1S/C26H26N2O5S/c1-4-13-32-25(30)23-17(2)27-26-28(22(29)12-14-34-26)24(23)19-10-11-20(21(15-19)31-3)33-16-18-8-6-5-7-9-18/h4-11,15,24H,1,12-14,16H2,2-3H3
InChIKey
VBVQNAJIEISOOG-UHFFFAOYSA-N
Compound name
prop-2-enyl 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

0
References

0
Patents

478.15625 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.16353 215.0
[M+Na]+ 501.14547 220.6
[M-H]- 477.14897 221.7
[M+NH4]+ 496.19007 220.8
[M+K]+ 517.11941 214.8
[M+H-H2O]+ 461.15351 203.4
[M+HCOO]- 523.15445 224.6
[M+CH3COO]- 537.17010 236.8
[M+Na-2H]- 499.13092 212.7
[M]+ 478.15570 219.5
[M]- 478.15680 219.5
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.